8,12,15-trimethyl-7-(6-methylheptan-2-yl)tetracyclo[9.8.0.02,8.012,17]nonadec-17-ene

C30H52 — CID 143562519

IUPAC8,12,15-trimethyl-7-(6-methylheptan-2-yl)tetracyclo[9.8.0.02,8.012,17]nonadec-17-ene
SMILESCC(C)CCCC(C)C1CCCCC2C3CC=C4CC(C)CCC4(C)C3CCC12C
InChIInChI=1S/C30H52/c1-21(2)10-9-11-23(4)26-12-7-8-13-27-25-15-14-24-20-22(3)16-18-29(24,5)28(25)17-19-30(26,27)6/h14,21-23,25-28H,7-13,15-20H2,1-6H3
InChIKeyHAZWOMPKQMQYMG-UHFFFAOYSA-N
MW412.75 g/mol
LogP9.44
Rot. Bonds5

About 8,12,15-trimethyl-7-(6-methylheptan-2-yl)tetracyclo[9.8.0.02,8.012,17]nonadec-17-ene

8,12,15-trimethyl-7-(6-methylheptan-2-yl)tetracyclo[9.8.0.02,8.012,17]nonadec-17-ene (PubChem CID 143562519) has the molecular formula C30H52 and a molecular weight of 412.75 g/mol. Its IUPAC name is 8,12,15-trimethyl-7-(6-methylheptan-2-yl)tetracyclo[9.8.0.02,8.012,17]nonadec-17-ene.

Molecular Properties

Compound Name8,12,15-trimethyl-7-(6-methylheptan-2-yl)tetracyclo[9.8.0.02,8.012,17]nonadec-17-ene
PubChem CID143562519
Molecular FormulaC30H52
Molecular Weight412.75 g/mol
Exact Mass412.41
IUPAC Name8,12,15-trimethyl-7-(6-methylheptan-2-yl)tetracyclo[9.8.0.02,8.012,17]nonadec-17-ene
SMILESCC(C)CCCC(C)C1CCCCC2C3CC=C4CC(C)CCC4(C)C3CCC12C
InChIInChI=1S/C30H52/c1-21(2)10-9-11-23(4)26-12-7-8-13-27-25-15-14-24-20-22(3)16-18-29(24,5)28(25)17-19-30(26,27)6/h14,21-23,25-28H,7-13,15-20H2,1-6H3
InChIKeyHAZWOMPKQMQYMG-UHFFFAOYSA-N
XLogP9.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.75
LogP ≤ 59.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 8,12,15-trimethyl-7-(6-methylheptan-2-yl)tetracyclo[9.8.0.02,8.012,17]nonadec-17-ene with MolForge

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Related Compounds

(3S,8S,9S,10R,13R,14S)-3,10,13-trimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
CID 163709884
(3R,8S,9S,10R,13R,14S,17R)-3,10,13-trimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
CID 59204135
acetylene;3,10,13-trimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
CID 142023257
ethane;molecular hydrogen;(8S,10R,13R,17R)-3,10,13-trimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
CID 177028676
(3S,8R,14S)-3,10,13-trimethyl-17-[(2R)-17-methyloctadecan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
CID 90814634
(3S,8R,9R,10R,13R,14R,17S)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3-thiol
CID 124784593
(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-3-propan-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
CID 155790537
10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-propan-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
CID 142411423
cyclohexane;(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 175058500
10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 304
(3S,8R,9R,10R,13R,14S,17S)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 11869366
(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 11025495

Frequently Asked Questions

What is the IUPAC name of 8,12,15-trimethyl-7-(6-methylheptan-2-yl)tetracyclo[9.8.0.02,8.012,17]nonadec-17-ene?
The IUPAC name of 8,12,15-trimethyl-7-(6-methylheptan-2-yl)tetracyclo[9.8.0.02,8.012,17]nonadec-17-ene (CID 143562519) is 8,12,15-trimethyl-7-(6-methylheptan-2-yl)tetracyclo[9.8.0.02,8.012,17]nonadec-17-ene.
What is the SMILES notation for 8,12,15-trimethyl-7-(6-methylheptan-2-yl)tetracyclo[9.8.0.02,8.012,17]nonadec-17-ene?
The canonical SMILES for 8,12,15-trimethyl-7-(6-methylheptan-2-yl)tetracyclo[9.8.0.02,8.012,17]nonadec-17-ene is CC(C)CCCC(C)C1CCCCC2C3CC=C4CC(C)CCC4(C)C3CCC12C.
What is the InChIKey of 8,12,15-trimethyl-7-(6-methylheptan-2-yl)tetracyclo[9.8.0.02,8.012,17]nonadec-17-ene?
The InChIKey is HAZWOMPKQMQYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H52/c1-21(2)10-9-11-23(4)26-12-7-8-13-27-25-15-14-24-20-22(3)16-18-29(24,5)28(25)17-19-30(26,27)6/h14,21-23,25-28H,7-13,15-20H2,1-6H3.
What are the key properties of 8,12,15-trimethyl-7-(6-methylheptan-2-yl)tetracyclo[9.8.0.02,8.012,17]nonadec-17-ene?
8,12,15-trimethyl-7-(6-methylheptan-2-yl)tetracyclo[9.8.0.02,8.012,17]nonadec-17-ene has a molecular weight of 412.75 g/mol, XLogP of 9.44, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,12,15-trimethyl-7-(6-methylheptan-2-yl)tetracyclo[9.8.0.02,8.012,17]nonadec-17-ene is sourced from PubChem (CID 143562519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).