(5S,8R)-3-methylpentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),3,9-triene

C17H20 — CID 134939192

IUPAC(5S,8R)-3-methylpentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),3,9-triene
SMILESCc1c2c(cc3c1[C@H]1CC[C@@H]3C1)C1CCC2C1
InChIInChI=1S/C17H20/c1-9-16-12-4-2-10(6-12)14(16)8-15-11-3-5-13(7-11)17(9)15/h8,10-13H,2-7H2,1H3/t10-,11?,12+,13?/m1/s1
InChIKeyPQTHPBIQSMVYBZ-IGJPJIBNSA-N
MW224.35 g/mol
LogP4.72
Rot. Bonds

About (5S,8R)-3-methylpentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),3,9-triene

(5S,8R)-3-methylpentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),3,9-triene (PubChem CID 134939192) has the molecular formula C17H20 and a molecular weight of 224.35 g/mol. Its IUPAC name is (5S,8R)-3-methylpentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),3,9-triene.

Molecular Properties

Compound Name(5S,8R)-3-methylpentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),3,9-triene
PubChem CID134939192
Molecular FormulaC17H20
Molecular Weight224.35 g/mol
Exact Mass224.16
IUPAC Name(5S,8R)-3-methylpentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),3,9-triene
SMILESCc1c2c(cc3c1[C@H]1CC[C@@H]3C1)C1CCC2C1
InChIInChI=1S/C17H20/c1-9-16-12-4-2-10(6-12)14(16)8-15-11-3-5-13(7-11)17(9)15/h8,10-13H,2-7H2,1H3/t10-,11?,12+,13?/m1/s1
InChIKeyPQTHPBIQSMVYBZ-IGJPJIBNSA-N
XLogP4.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (5S,8R)-3-methylpentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),3,9-triene?
The IUPAC name of (5S,8R)-3-methylpentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),3,9-triene (CID 134939192) is (5S,8R)-3-methylpentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),3,9-triene.
What is the SMILES notation for (5S,8R)-3-methylpentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),3,9-triene?
The canonical SMILES for (5S,8R)-3-methylpentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),3,9-triene is Cc1c2c(cc3c1[C@H]1CC[C@@H]3C1)C1CCC2C1.
What is the InChIKey of (5S,8R)-3-methylpentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),3,9-triene?
The InChIKey is PQTHPBIQSMVYBZ-IGJPJIBNSA-N. The full InChI is InChI=1S/C17H20/c1-9-16-12-4-2-10(6-12)14(16)8-15-11-3-5-13(7-11)17(9)15/h8,10-13H,2-7H2,1H3/t10-,11?,12+,13?/m1/s1.
What are the key properties of (5S,8R)-3-methylpentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),3,9-triene?
(5S,8R)-3-methylpentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),3,9-triene has a molecular weight of 224.35 g/mol, XLogP of 4.72, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,8R)-3-methylpentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),3,9-triene is sourced from PubChem (CID 134939192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).