(1Z,3R,7S,9Z,12S,15S)-3,6,6,10,15-pentamethyltricyclo[10.3.0.03,7]pentadeca-1,9-diene

C20H32 — CID 129320446

IUPAC(1Z,3R,7S,9Z,12S,15S)-3,6,6,10,15-pentamethyltricyclo[10.3.0.03,7]pentadeca-1,9-diene
SMILESC/C1=C/C[C@H]2C(C)(C)CC[C@]2(C)/C=C2\[C@@H](CC[C@@H]2C)C1
InChIInChI=1S/C20H32/c1-14-6-9-18-19(3,4)10-11-20(18,5)13-17-15(2)7-8-16(17)12-14/h6,13,15-16,18H,7-12H2,1-5H3/b14-6-,17-13-/t15-,16-,18-,20+/m0/s1
InChIKeyJZGOFJIAHJJJDK-ICZJPRMTSA-N
MW272.48 g/mol
LogP6.14
Rot. Bonds

About (1Z,3R,7S,9Z,12S,15S)-3,6,6,10,15-pentamethyltricyclo[10.3.0.03,7]pentadeca-1,9-diene

(1Z,3R,7S,9Z,12S,15S)-3,6,6,10,15-pentamethyltricyclo[10.3.0.03,7]pentadeca-1,9-diene (PubChem CID 129320446) has the molecular formula C20H32 and a molecular weight of 272.48 g/mol. Its IUPAC name is (1Z,3R,7S,9Z,12S,15S)-3,6,6,10,15-pentamethyltricyclo[10.3.0.03,7]pentadeca-1,9-diene.

Molecular Properties

Compound Name(1Z,3R,7S,9Z,12S,15S)-3,6,6,10,15-pentamethyltricyclo[10.3.0.03,7]pentadeca-1,9-diene
PubChem CID129320446
Molecular FormulaC20H32
Molecular Weight272.48 g/mol
Exact Mass272.25
IUPAC Name(1Z,3R,7S,9Z,12S,15S)-3,6,6,10,15-pentamethyltricyclo[10.3.0.03,7]pentadeca-1,9-diene
SMILESC/C1=C/C[C@H]2C(C)(C)CC[C@]2(C)/C=C2\[C@@H](CC[C@@H]2C)C1
InChIInChI=1S/C20H32/c1-14-6-9-18-19(3,4)10-11-20(18,5)13-17-15(2)7-8-16(17)12-14/h6,13,15-16,18H,7-12H2,1-5H3/b14-6-,17-13-/t15-,16-,18-,20+/m0/s1
InChIKeyJZGOFJIAHJJJDK-ICZJPRMTSA-N
XLogP6.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.48
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1Z,3R,7S,9Z,12S,15S)-3,6,6,10,15-pentamethyltricyclo[10.3.0.03,7]pentadeca-1,9-diene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1Z,3R,7S,9Z,12S,15S)-3,6,6,10,15-pentamethyltricyclo[10.3.0.03,7]pentadeca-1,9-diene?
The IUPAC name of (1Z,3R,7S,9Z,12S,15S)-3,6,6,10,15-pentamethyltricyclo[10.3.0.03,7]pentadeca-1,9-diene (CID 129320446) is (1Z,3R,7S,9Z,12S,15S)-3,6,6,10,15-pentamethyltricyclo[10.3.0.03,7]pentadeca-1,9-diene.
What is the SMILES notation for (1Z,3R,7S,9Z,12S,15S)-3,6,6,10,15-pentamethyltricyclo[10.3.0.03,7]pentadeca-1,9-diene?
The canonical SMILES for (1Z,3R,7S,9Z,12S,15S)-3,6,6,10,15-pentamethyltricyclo[10.3.0.03,7]pentadeca-1,9-diene is C/C1=C/C[C@H]2C(C)(C)CC[C@]2(C)/C=C2\[C@@H](CC[C@@H]2C)C1.
What is the InChIKey of (1Z,3R,7S,9Z,12S,15S)-3,6,6,10,15-pentamethyltricyclo[10.3.0.03,7]pentadeca-1,9-diene?
The InChIKey is JZGOFJIAHJJJDK-ICZJPRMTSA-N. The full InChI is InChI=1S/C20H32/c1-14-6-9-18-19(3,4)10-11-20(18,5)13-17-15(2)7-8-16(17)12-14/h6,13,15-16,18H,7-12H2,1-5H3/b14-6-,17-13-/t15-,16-,18-,20+/m0/s1.
What are the key properties of (1Z,3R,7S,9Z,12S,15S)-3,6,6,10,15-pentamethyltricyclo[10.3.0.03,7]pentadeca-1,9-diene?
(1Z,3R,7S,9Z,12S,15S)-3,6,6,10,15-pentamethyltricyclo[10.3.0.03,7]pentadeca-1,9-diene has a molecular weight of 272.48 g/mol, XLogP of 6.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3R,7S,9Z,12S,15S)-3,6,6,10,15-pentamethyltricyclo[10.3.0.03,7]pentadeca-1,9-diene is sourced from PubChem (CID 129320446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).