6-(2,10-dimethyl-13-methylidene-3-oxatetracyclo[10.3.0.02,4.06,10]pentadecan-7-yl)-2-methylhept-2-en-1-ol

C25H40O2 — CID 163034384

IUPAC6-(2,10-dimethyl-13-methylidene-3-oxatetracyclo[10.3.0.02,4.06,10]pentadecan-7-yl)-2-methylhept-2-en-1-ol
SMILESC=C1CCC2C1CC1(C)CCC(C(C)CCC=C(C)CO)C1CC1OC12C
InChIInChI=1S/C25H40O2/c1-16(15-26)7-6-8-17(2)19-11-12-24(4)14-20-18(3)9-10-21(20)25(5)23(27-25)13-22(19)24/h7,17,19-23,26H,3,6,8-15H2,1-2,4-5H3
InChIKeyJPWWOAMPHFTWJX-UHFFFAOYSA-N
MW372.59 g/mol
LogP5.91
Rot. Bonds5

About 6-(2,10-dimethyl-13-methylidene-3-oxatetracyclo[10.3.0.02,4.06,10]pentadecan-7-yl)-2-methylhept-2-en-1-ol

6-(2,10-dimethyl-13-methylidene-3-oxatetracyclo[10.3.0.02,4.06,10]pentadecan-7-yl)-2-methylhept-2-en-1-ol (PubChem CID 163034384) has the molecular formula C25H40O2 and a molecular weight of 372.59 g/mol. Its IUPAC name is 6-(2,10-dimethyl-13-methylidene-3-oxatetracyclo[10.3.0.02,4.06,10]pentadecan-7-yl)-2-methylhept-2-en-1-ol.

Molecular Properties

Compound Name6-(2,10-dimethyl-13-methylidene-3-oxatetracyclo[10.3.0.02,4.06,10]pentadecan-7-yl)-2-methylhept-2-en-1-ol
PubChem CID163034384
Molecular FormulaC25H40O2
Molecular Weight372.59 g/mol
Exact Mass372.30
IUPAC Name6-(2,10-dimethyl-13-methylidene-3-oxatetracyclo[10.3.0.02,4.06,10]pentadecan-7-yl)-2-methylhept-2-en-1-ol
SMILESC=C1CCC2C1CC1(C)CCC(C(C)CCC=C(C)CO)C1CC1OC12C
InChIInChI=1S/C25H40O2/c1-16(15-26)7-6-8-17(2)19-11-12-24(4)14-20-18(3)9-10-21(20)25(5)23(27-25)13-22(19)24/h7,17,19-23,26H,3,6,8-15H2,1-2,4-5H3
InChIKeyJPWWOAMPHFTWJX-UHFFFAOYSA-N
XLogP5.91
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.59
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(2,10-dimethyl-13-methylidene-3-oxatetracyclo[10.3.0.02,4.06,10]pentadecan-7-yl)-2-methylhept-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E,6S)-6-[(1S,2S,3S,7S)-6,14-dimethylidene-3-tricyclo[8.4.1.02,7]pentadec-10-enyl]-2-methylhept-2-en-1-ol
CID 162991674
(Z,6R)-2-methyl-6-[(1S,5S)-4-methylidene-1-bicyclo[3.1.0]hexanyl]hept-2-en-1-ol
CID 24796073
(5R,10S,13R,14R,17R)-4,4,10,14-tetramethyl-17-[(2R)-6-methylhept-5-en-2-yl]-1,2,3,5,6,7,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
CID 131849738
1,6-dimethyl-4-(6-methylhept-5-en-2-yl)-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
CID 14707361
(3aS,4R,5S,8aR)-3-methyl-5-(6-methylhept-5-en-2-yl)-8-methylidene-3a,4,5,6,7,8a-hexahydro-1H-azulen-4-ol
CID 23426378
(1R,3S,7R,11S,12R)-1,4-dimethyl-12-[(2S)-6-methylhept-5-en-2-yl]-6-oxotricyclo[9.3.0.03,7]tetradeca-4,8-diene-8-carbaldehyde
CID 149356934
(1R,2S,6R,10S)-3,7-dimethyl-10-(6-methylhept-5-en-2-yl)-11-oxatricyclo[5.3.1.02,6]undec-3-ene
CID 171120076
(3R,4S)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-3-ol
CID 22297359
(1S,4R,4aR,8aR)-4-methoxy-4,7-dimethyl-1-[(2R)-6-methylhept-5-en-2-yl]-2,3,4a,5,6,8a-hexahydro-1H-naphthalene
CID 23426652
9-hydroxy-1,4-dimethyl-12-(6-methylhept-5-en-2-yl)-6-oxotricyclo[9.3.0.03,7]tetradeca-4,7-diene-8-carboxylic acid
CID 85437810
(Z,6S)-6-[(1R,3R,6S,7S,9Z,11S,14R)-14-hydroxy-3,10,14-trimethyl-12-oxo-6-tricyclo[9.3.0.03,7]tetradec-9-enyl]-2-methylhept-2-enal
CID 162864729
(3R,5R,10S,13S,14S,17S)-17-[(Z,2S)-7-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 10411111

Frequently Asked Questions

What is the IUPAC name of 6-(2,10-dimethyl-13-methylidene-3-oxatetracyclo[10.3.0.02,4.06,10]pentadecan-7-yl)-2-methylhept-2-en-1-ol?
The IUPAC name of 6-(2,10-dimethyl-13-methylidene-3-oxatetracyclo[10.3.0.02,4.06,10]pentadecan-7-yl)-2-methylhept-2-en-1-ol (CID 163034384) is 6-(2,10-dimethyl-13-methylidene-3-oxatetracyclo[10.3.0.02,4.06,10]pentadecan-7-yl)-2-methylhept-2-en-1-ol.
What is the SMILES notation for 6-(2,10-dimethyl-13-methylidene-3-oxatetracyclo[10.3.0.02,4.06,10]pentadecan-7-yl)-2-methylhept-2-en-1-ol?
The canonical SMILES for 6-(2,10-dimethyl-13-methylidene-3-oxatetracyclo[10.3.0.02,4.06,10]pentadecan-7-yl)-2-methylhept-2-en-1-ol is C=C1CCC2C1CC1(C)CCC(C(C)CCC=C(C)CO)C1CC1OC12C.
What is the InChIKey of 6-(2,10-dimethyl-13-methylidene-3-oxatetracyclo[10.3.0.02,4.06,10]pentadecan-7-yl)-2-methylhept-2-en-1-ol?
The InChIKey is JPWWOAMPHFTWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40O2/c1-16(15-26)7-6-8-17(2)19-11-12-24(4)14-20-18(3)9-10-21(20)25(5)23(27-25)13-22(19)24/h7,17,19-23,26H,3,6,8-15H2,1-2,4-5H3.
What are the key properties of 6-(2,10-dimethyl-13-methylidene-3-oxatetracyclo[10.3.0.02,4.06,10]pentadecan-7-yl)-2-methylhept-2-en-1-ol?
6-(2,10-dimethyl-13-methylidene-3-oxatetracyclo[10.3.0.02,4.06,10]pentadecan-7-yl)-2-methylhept-2-en-1-ol has a molecular weight of 372.59 g/mol, XLogP of 5.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,10-dimethyl-13-methylidene-3-oxatetracyclo[10.3.0.02,4.06,10]pentadecan-7-yl)-2-methylhept-2-en-1-ol is sourced from PubChem (CID 163034384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).