2,8-dimethyl-6-(6,10,14,18,22-pentamethyltricos-1-en-2-yl)tricyclo[5.3.0.02,5]decane

C40H74 — CID 162970843

IUPAC2,8-dimethyl-6-(6,10,14,18,22-pentamethyltricos-1-en-2-yl)tricyclo[5.3.0.02,5]decane
SMILESC=C(CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)C)C1C2C(C)CCC2C2(C)CCC12
InChIInChI=1S/C40H74/c1-29(2)15-10-16-30(3)17-11-18-31(4)19-12-20-32(5)21-13-22-33(6)23-14-24-34(7)38-37-27-28-40(37,9)36-26-25-35(8)39(36)38/h29-33,35-39H,7,10-28H2,1-6,8-9H3
InChIKeyQBUWYPSTNDPQKI-UHFFFAOYSA-N
MW555.03 g/mol
LogP13.30
Rot. Bonds21

About 2,8-dimethyl-6-(6,10,14,18,22-pentamethyltricos-1-en-2-yl)tricyclo[5.3.0.02,5]decane

2,8-dimethyl-6-(6,10,14,18,22-pentamethyltricos-1-en-2-yl)tricyclo[5.3.0.02,5]decane (PubChem CID 162970843) has the molecular formula C40H74 and a molecular weight of 555.03 g/mol. Its IUPAC name is 2,8-dimethyl-6-(6,10,14,18,22-pentamethyltricos-1-en-2-yl)tricyclo[5.3.0.02,5]decane.

Molecular Properties

Compound Name2,8-dimethyl-6-(6,10,14,18,22-pentamethyltricos-1-en-2-yl)tricyclo[5.3.0.02,5]decane
PubChem CID162970843
Molecular FormulaC40H74
Molecular Weight555.03 g/mol
Exact Mass554.58
IUPAC Name2,8-dimethyl-6-(6,10,14,18,22-pentamethyltricos-1-en-2-yl)tricyclo[5.3.0.02,5]decane
SMILESC=C(CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)C)C1C2C(C)CCC2C2(C)CCC12
InChIInChI=1S/C40H74/c1-29(2)15-10-16-30(3)17-11-18-31(4)19-12-20-32(5)21-13-22-33(6)23-14-24-34(7)38-37-27-28-40(37,9)36-26-25-35(8)39(36)38/h29-33,35-39H,7,10-28H2,1-6,8-9H3
InChIKeyQBUWYPSTNDPQKI-UHFFFAOYSA-N
XLogP13.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.03
LogP ≤ 513.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,8-dimethyl-6-(6,10,14,18,22-pentamethyltricos-1-en-2-yl)tricyclo[5.3.0.02,5]decane with MolForge

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Related Compounds

(1R,2S,5R,6R,7S,8S)-2,8-dimethyl-6-prop-1-en-2-yltricyclo[5.3.0.02,5]decane
CID 11458377
6,10-dimethylundec-1-en-2-ylcyclopropane
CID 123693497
(1R,4R,5S,8S,9S,10S,13R,14S,17R)-4,10,13-trimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-1-ol
CID 101270781
2,8-dimethyltricyclo[5.3.0.02,5]decan-6-ol
CID 130146858
(4R,5S,8S,9S,10S,13R,14S,17R)-4,10,13-trimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 90472537
(4S,5R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,4-diol
CID 45044284
(3S,4S,5R,8R,9R,10R,13R,14R,17S)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,4-diol
CID 124920057
[8a,10a-dimethyl-1-(6-methylheptan-2-yl)-1,3a,3b,4,5,5a,6,7,8,8b,9,10-dodecahydroindeno[5,4-e]inden-6-yl]methanol
CID 14211914
(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-6-sulfanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 126732621
(10S,13R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;2,6,10,15,19,23-hexamethyltetracosane
CID 167615912
10,14-dimethyl-15-(6-methylheptan-2-yl)-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadecan-7-ol
CID 4291449
(3R,9S,14S)-3,7,10,13-tetramethyl-17-[(2R)-5-methylhex-5-en-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 142375417

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-6-(6,10,14,18,22-pentamethyltricos-1-en-2-yl)tricyclo[5.3.0.02,5]decane?
The IUPAC name of 2,8-dimethyl-6-(6,10,14,18,22-pentamethyltricos-1-en-2-yl)tricyclo[5.3.0.02,5]decane (CID 162970843) is 2,8-dimethyl-6-(6,10,14,18,22-pentamethyltricos-1-en-2-yl)tricyclo[5.3.0.02,5]decane.
What is the SMILES notation for 2,8-dimethyl-6-(6,10,14,18,22-pentamethyltricos-1-en-2-yl)tricyclo[5.3.0.02,5]decane?
The canonical SMILES for 2,8-dimethyl-6-(6,10,14,18,22-pentamethyltricos-1-en-2-yl)tricyclo[5.3.0.02,5]decane is C=C(CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)C)C1C2C(C)CCC2C2(C)CCC12.
What is the InChIKey of 2,8-dimethyl-6-(6,10,14,18,22-pentamethyltricos-1-en-2-yl)tricyclo[5.3.0.02,5]decane?
The InChIKey is QBUWYPSTNDPQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H74/c1-29(2)15-10-16-30(3)17-11-18-31(4)19-12-20-32(5)21-13-22-33(6)23-14-24-34(7)38-37-27-28-40(37,9)36-26-25-35(8)39(36)38/h29-33,35-39H,7,10-28H2,1-6,8-9H3.
What are the key properties of 2,8-dimethyl-6-(6,10,14,18,22-pentamethyltricos-1-en-2-yl)tricyclo[5.3.0.02,5]decane?
2,8-dimethyl-6-(6,10,14,18,22-pentamethyltricos-1-en-2-yl)tricyclo[5.3.0.02,5]decane has a molecular weight of 555.03 g/mol, XLogP of 13.30, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-6-(6,10,14,18,22-pentamethyltricos-1-en-2-yl)tricyclo[5.3.0.02,5]decane is sourced from PubChem (CID 162970843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).