(3S,10R,11R)-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1(14),6-diene

C20H32 — CID 91747810

IUPAC(3S,10R,11R)-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1(14),6-diene
SMILESCC1=C2C[C@]3(C)CCC(C(C)C)=C3CC[C@@H](C)[C@H]2CC1
InChIInChI=1S/C20H32/c1-13(2)16-10-11-20(5)12-18-15(4)6-8-17(18)14(3)7-9-19(16)20/h13-14,17H,6-12H2,1-5H3/t14-,17-,20+/m1/s1
InChIKeyPZSFDLBSQBBRAM-ZTQAJYAQSA-N
MW272.48 g/mol
LogP6.29
Rot. Bonds1

About (3S,10R,11R)-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1(14),6-diene

(3S,10R,11R)-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1(14),6-diene (PubChem CID 91747810) has the molecular formula C20H32 and a molecular weight of 272.48 g/mol. Its IUPAC name is (3S,10R,11R)-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1(14),6-diene.

Molecular Properties

Compound Name(3S,10R,11R)-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1(14),6-diene
PubChem CID91747810
Molecular FormulaC20H32
Molecular Weight272.48 g/mol
Exact Mass272.25
IUPAC Name(3S,10R,11R)-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1(14),6-diene
SMILESCC1=C2C[C@]3(C)CCC(C(C)C)=C3CC[C@@H](C)[C@H]2CC1
InChIInChI=1S/C20H32/c1-13(2)16-10-11-20(5)12-18-15(4)6-8-17(18)14(3)7-9-19(16)20/h13-14,17H,6-12H2,1-5H3/t14-,17-,20+/m1/s1
InChIKeyPZSFDLBSQBBRAM-ZTQAJYAQSA-N
XLogP6.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.48
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,10R,11R)-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1(14),6-diene?
The IUPAC name of (3S,10R,11R)-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1(14),6-diene (CID 91747810) is (3S,10R,11R)-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1(14),6-diene.
What is the SMILES notation for (3S,10R,11R)-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1(14),6-diene?
The canonical SMILES for (3S,10R,11R)-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1(14),6-diene is CC1=C2C[C@]3(C)CCC(C(C)C)=C3CC[C@@H](C)[C@H]2CC1.
What is the InChIKey of (3S,10R,11R)-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1(14),6-diene?
The InChIKey is PZSFDLBSQBBRAM-ZTQAJYAQSA-N. The full InChI is InChI=1S/C20H32/c1-13(2)16-10-11-20(5)12-18-15(4)6-8-17(18)14(3)7-9-19(16)20/h13-14,17H,6-12H2,1-5H3/t14-,17-,20+/m1/s1.
What are the key properties of (3S,10R,11R)-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1(14),6-diene?
(3S,10R,11R)-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1(14),6-diene has a molecular weight of 272.48 g/mol, XLogP of 6.29, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,10R,11R)-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1(14),6-diene is sourced from PubChem (CID 91747810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).