(1S,2R,5S,10S,11S,14R)-2,5,11-trimethyl-14-[(2R)-6-methylheptan-2-yl]tricyclo[8.7.0.02,7]heptadec-7-ene

C28H50 — CID 165392357

IUPAC(1S,2R,5S,10S,11S,14R)-2,5,11-trimethyl-14-[(2R)-6-methylheptan-2-yl]tricyclo[8.7.0.02,7]heptadec-7-ene
SMILESCC(C)CCC[C@@H](C)[C@@H]1CCC[C@H]2[C@@H](CC=C3C[C@@H](C)CC[C@@]32C)[C@@H](C)CC1
InChIInChI=1S/C28H50/c1-20(2)9-7-10-22(4)24-11-8-12-27-26(23(5)13-14-24)16-15-25-19-21(3)17-18-28(25,27)6/h15,20-24,26-27H,7-14,16-19H2,1-6H3/t21-,22+,23-,24+,26-,27-,28-/m0/s1
InChIKeyZSXDEFZMVNROPY-WMFPUDPCSA-N
MW386.71 g/mol
LogP9.05
Rot. Bonds5

About (1S,2R,5S,10S,11S,14R)-2,5,11-trimethyl-14-[(2R)-6-methylheptan-2-yl]tricyclo[8.7.0.02,7]heptadec-7-ene

(1S,2R,5S,10S,11S,14R)-2,5,11-trimethyl-14-[(2R)-6-methylheptan-2-yl]tricyclo[8.7.0.02,7]heptadec-7-ene (PubChem CID 165392357) has the molecular formula C28H50 and a molecular weight of 386.71 g/mol. Its IUPAC name is (1S,2R,5S,10S,11S,14R)-2,5,11-trimethyl-14-[(2R)-6-methylheptan-2-yl]tricyclo[8.7.0.02,7]heptadec-7-ene.

Molecular Properties

Compound Name(1S,2R,5S,10S,11S,14R)-2,5,11-trimethyl-14-[(2R)-6-methylheptan-2-yl]tricyclo[8.7.0.02,7]heptadec-7-ene
PubChem CID165392357
Molecular FormulaC28H50
Molecular Weight386.71 g/mol
Exact Mass386.39
IUPAC Name(1S,2R,5S,10S,11S,14R)-2,5,11-trimethyl-14-[(2R)-6-methylheptan-2-yl]tricyclo[8.7.0.02,7]heptadec-7-ene
SMILESCC(C)CCC[C@@H](C)[C@@H]1CCC[C@H]2[C@@H](CC=C3C[C@@H](C)CC[C@@]32C)[C@@H](C)CC1
InChIInChI=1S/C28H50/c1-20(2)9-7-10-22(4)24-11-8-12-27-26(23(5)13-14-24)16-15-25-19-21(3)17-18-28(25,27)6/h15,20-24,26-27H,7-14,16-19H2,1-6H3/t21-,22+,23-,24+,26-,27-,28-/m0/s1
InChIKeyZSXDEFZMVNROPY-WMFPUDPCSA-N
XLogP9.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.71
LogP ≤ 59.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1S,2R,5S,10S,11S,14R)-2,5,11-trimethyl-14-[(2R)-6-methylheptan-2-yl]tricyclo[8.7.0.02,7]heptadec-7-ene 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

8,12,15-trimethyl-7-(6-methylheptan-2-yl)tetracyclo[9.8.0.02,8.012,17]nonadec-17-ene
CID 143562519
(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
(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
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
[(2R)-2,11-dimethyl-14-(6-methylheptan-2-yl)-5-tricyclo[8.7.0.02,7]heptadec-7-enyl] N-[6-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)-6-methyloxan-2-yl]oxyhexyl]carbamate
CID 143714500
cyclobutanecarbaldehyde;2,6-dimethylheptane;ethane;1,3,5-trimethylbenzene;3,10,13-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
CID 144833972
2,5,11-trimethyl-14-(6,6,6-trifluoro-5-hydroxyhexan-2-yl)tricyclo[8.7.0.02,7]heptadec-7-en-5-ol
CID 123145807
(3S)-3,10,13-trimethyl-17-(5-methylhexyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
CID 144759476
(3S,8S,9S,10R,13S,14R,16S,17S)-10,16-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,7,8,9,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol
CID 145328666
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

Frequently Asked Questions

What is the IUPAC name of (1S,2R,5S,10S,11S,14R)-2,5,11-trimethyl-14-[(2R)-6-methylheptan-2-yl]tricyclo[8.7.0.02,7]heptadec-7-ene?
The IUPAC name of (1S,2R,5S,10S,11S,14R)-2,5,11-trimethyl-14-[(2R)-6-methylheptan-2-yl]tricyclo[8.7.0.02,7]heptadec-7-ene (CID 165392357) is (1S,2R,5S,10S,11S,14R)-2,5,11-trimethyl-14-[(2R)-6-methylheptan-2-yl]tricyclo[8.7.0.02,7]heptadec-7-ene.
What is the SMILES notation for (1S,2R,5S,10S,11S,14R)-2,5,11-trimethyl-14-[(2R)-6-methylheptan-2-yl]tricyclo[8.7.0.02,7]heptadec-7-ene?
The canonical SMILES for (1S,2R,5S,10S,11S,14R)-2,5,11-trimethyl-14-[(2R)-6-methylheptan-2-yl]tricyclo[8.7.0.02,7]heptadec-7-ene is CC(C)CCC[C@@H](C)[C@@H]1CCC[C@H]2[C@@H](CC=C3C[C@@H](C)CC[C@@]32C)[C@@H](C)CC1.
What is the InChIKey of (1S,2R,5S,10S,11S,14R)-2,5,11-trimethyl-14-[(2R)-6-methylheptan-2-yl]tricyclo[8.7.0.02,7]heptadec-7-ene?
The InChIKey is ZSXDEFZMVNROPY-WMFPUDPCSA-N. The full InChI is InChI=1S/C28H50/c1-20(2)9-7-10-22(4)24-11-8-12-27-26(23(5)13-14-24)16-15-25-19-21(3)17-18-28(25,27)6/h15,20-24,26-27H,7-14,16-19H2,1-6H3/t21-,22+,23-,24+,26-,27-,28-/m0/s1.
What are the key properties of (1S,2R,5S,10S,11S,14R)-2,5,11-trimethyl-14-[(2R)-6-methylheptan-2-yl]tricyclo[8.7.0.02,7]heptadec-7-ene?
(1S,2R,5S,10S,11S,14R)-2,5,11-trimethyl-14-[(2R)-6-methylheptan-2-yl]tricyclo[8.7.0.02,7]heptadec-7-ene has a molecular weight of 386.71 g/mol, XLogP of 9.05, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5S,10S,11S,14R)-2,5,11-trimethyl-14-[(2R)-6-methylheptan-2-yl]tricyclo[8.7.0.02,7]heptadec-7-ene is sourced from PubChem (CID 165392357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).