(3R,6S,7S,9Z,14R)-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1(11),9-diene

C20H32 — CID 156582299

IUPAC(3R,6S,7S,9Z,14R)-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1(11),9-diene
SMILESC/C1=C/C[C@H]2[C@H](C(C)C)CC[C@]2(C)CC2=C1CC[C@H]2C
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/h7,13,15-16,19H,6,8-12H2,1-5H3/b14-7-/t15-,16+,19+,20-/m1/s1
InChIKeyKSCNTMMHGKKMCY-LEAFOCLBSA-N
MW272.48 g/mol
LogP6.14
Rot. Bonds1

About (3R,6S,7S,9Z,14R)-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1(11),9-diene

(3R,6S,7S,9Z,14R)-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1(11),9-diene (PubChem CID 156582299) has the molecular formula C20H32 and a molecular weight of 272.48 g/mol. Its IUPAC name is (3R,6S,7S,9Z,14R)-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1(11),9-diene.

Molecular Properties

Compound Name(3R,6S,7S,9Z,14R)-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1(11),9-diene
PubChem CID156582299
Molecular FormulaC20H32
Molecular Weight272.48 g/mol
Exact Mass272.25
IUPAC Name(3R,6S,7S,9Z,14R)-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1(11),9-diene
SMILESC/C1=C/C[C@H]2[C@H](C(C)C)CC[C@]2(C)CC2=C1CC[C@H]2C
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/h7,13,15-16,19H,6,8-12H2,1-5H3/b14-7-/t15-,16+,19+,20-/m1/s1
InChIKeyKSCNTMMHGKKMCY-LEAFOCLBSA-N
XLogP6.14
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 ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (3R,6S,7S,9Z,14R)-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1(11),9-diene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3R,6S,7S,9Z,14R)-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1(11),9-diene?
The IUPAC name of (3R,6S,7S,9Z,14R)-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1(11),9-diene (CID 156582299) is (3R,6S,7S,9Z,14R)-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1(11),9-diene.
What is the SMILES notation for (3R,6S,7S,9Z,14R)-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1(11),9-diene?
The canonical SMILES for (3R,6S,7S,9Z,14R)-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1(11),9-diene is C/C1=C/C[C@H]2[C@H](C(C)C)CC[C@]2(C)CC2=C1CC[C@H]2C.
What is the InChIKey of (3R,6S,7S,9Z,14R)-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1(11),9-diene?
The InChIKey is KSCNTMMHGKKMCY-LEAFOCLBSA-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/h7,13,15-16,19H,6,8-12H2,1-5H3/b14-7-/t15-,16+,19+,20-/m1/s1.
What are the key properties of (3R,6S,7S,9Z,14R)-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1(11),9-diene?
(3R,6S,7S,9Z,14R)-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1(11),9-diene has a molecular weight of 272.48 g/mol, XLogP of 6.14, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S,7S,9Z,14R)-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1(11),9-diene is sourced from PubChem (CID 156582299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).