15-(4-ethyl-6-methyl-5-methylideneheptan-2-yl)-6-methoxy-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane

C34H58O — CID 162854016

IUPAC15-(4-ethyl-6-methyl-5-methylideneheptan-2-yl)-6-methoxy-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane
SMILESC=C(C(C)C)C(CC)CC(C)C1CCC2(C)C3CCC4C(C)(C)C(OC)CCC45CC35CCC12C
InChIInChI=1S/C34H58O/c1-11-25(24(5)22(2)3)20-23(4)26-14-16-32(9)28-13-12-27-30(6,7)29(35-10)15-17-33(27)21-34(28,33)19-18-31(26,32)8/h22-23,25-29H,5,11-21H2,1-4,6-10H3
InChIKeyNRFWQVFPTVBADN-UHFFFAOYSA-N
MW482.84 g/mol
LogP9.71
Rot. Bonds7

About 15-(4-ethyl-6-methyl-5-methylideneheptan-2-yl)-6-methoxy-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane

15-(4-ethyl-6-methyl-5-methylideneheptan-2-yl)-6-methoxy-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane (PubChem CID 162854016) has the molecular formula C34H58O and a molecular weight of 482.84 g/mol. Its IUPAC name is 15-(4-ethyl-6-methyl-5-methylideneheptan-2-yl)-6-methoxy-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane.

Molecular Properties

Compound Name15-(4-ethyl-6-methyl-5-methylideneheptan-2-yl)-6-methoxy-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane
PubChem CID162854016
Molecular FormulaC34H58O
Molecular Weight482.84 g/mol
Exact Mass482.45
IUPAC Name15-(4-ethyl-6-methyl-5-methylideneheptan-2-yl)-6-methoxy-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane
SMILESC=C(C(C)C)C(CC)CC(C)C1CCC2(C)C3CCC4C(C)(C)C(OC)CCC45CC35CCC12C
InChIInChI=1S/C34H58O/c1-11-25(24(5)22(2)3)20-23(4)26-14-16-32(9)28-13-12-27-30(6,7)29(35-10)15-17-33(27)21-34(28,33)19-18-31(26,32)8/h22-23,25-29H,5,11-21H2,1-4,6-10H3
InChIKeyNRFWQVFPTVBADN-UHFFFAOYSA-N
XLogP9.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.84
LogP ≤ 59.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 15-(4-ethyl-6-methyl-5-methylideneheptan-2-yl)-6-methoxy-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane with MolForge

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Related Compounds

(1S,3R,6S,8R,11S,12S,15R,16R)-6-methoxy-7,7,12,16-tetramethyl-15-[(2R)-5,5,6-trimethylhept-6-en-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecane
CID 101297746
[15-(5-ethyl-6-methylhept-6-en-2-yl)-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate
CID 14312800
[(1S,3R,6S,8S,11R,12S,15R,16R)-15-[(2R,5S)-5-ethyl-6-methylhept-6-en-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate
CID 163061141
[(1S,3R,12S,16R)-7,7,12,16-tetramethyl-15-(6-methyl-5-methylideneheptan-2-yl)-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate
CID 146156798
[(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R,5R)-5,6-dimethylhept-6-en-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] formate
CID 101130233
5-[2-(6-methoxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)propyl]-3-methyloxolan-2-one
CID 162872595
(1S,3R,6S,8S,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2S)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
CID 12760137
(1S,3S,6S,12S,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
CID 59297121
[(1S,3R,6S,8S,11R,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-5,5,6-trimethylhept-6-en-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate
CID 162975346
[(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R,5R)-5-ethyl-6-methylhept-6-en-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (9Z,12Z)-octadeca-9,12-dienoate
CID 162917347
(4R)-4-[(3R,6S,8R,11S,12S,15R,16R)-6-acetyloxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]pentanoic acid
CID 59223482
(4R)-4-[(1S,6S,8R,11S,12S,15R,16R)-6-acetyloxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]pentanoic acid
CID 59223563

Frequently Asked Questions

What is the IUPAC name of 15-(4-ethyl-6-methyl-5-methylideneheptan-2-yl)-6-methoxy-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane?
The IUPAC name of 15-(4-ethyl-6-methyl-5-methylideneheptan-2-yl)-6-methoxy-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane (CID 162854016) is 15-(4-ethyl-6-methyl-5-methylideneheptan-2-yl)-6-methoxy-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane.
What is the SMILES notation for 15-(4-ethyl-6-methyl-5-methylideneheptan-2-yl)-6-methoxy-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane?
The canonical SMILES for 15-(4-ethyl-6-methyl-5-methylideneheptan-2-yl)-6-methoxy-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane is C=C(C(C)C)C(CC)CC(C)C1CCC2(C)C3CCC4C(C)(C)C(OC)CCC45CC35CCC12C.
What is the InChIKey of 15-(4-ethyl-6-methyl-5-methylideneheptan-2-yl)-6-methoxy-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane?
The InChIKey is NRFWQVFPTVBADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H58O/c1-11-25(24(5)22(2)3)20-23(4)26-14-16-32(9)28-13-12-27-30(6,7)29(35-10)15-17-33(27)21-34(28,33)19-18-31(26,32)8/h22-23,25-29H,5,11-21H2,1-4,6-10H3.
What are the key properties of 15-(4-ethyl-6-methyl-5-methylideneheptan-2-yl)-6-methoxy-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane?
15-(4-ethyl-6-methyl-5-methylideneheptan-2-yl)-6-methoxy-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane has a molecular weight of 482.84 g/mol, XLogP of 9.71, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(4-ethyl-6-methyl-5-methylideneheptan-2-yl)-6-methoxy-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane is sourced from PubChem (CID 162854016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).