(2R,7S)-11-prop-2-enyltetracyclo[6.2.1.13,6.02,7]dodeca-4,9-dien-11-ol

C15H18O — CID 155930241

IUPAC(2R,7S)-11-prop-2-enyltetracyclo[6.2.1.13,6.02,7]dodeca-4,9-dien-11-ol
SMILESC=CCC1(O)C2C=CC1[C@@H]1C3C=CC(C3)[C@H]21
InChIInChI=1S/C15H18O/c1-2-7-15(16)11-5-6-12(15)14-10-4-3-9(8-10)13(11)14/h2-6,9-14,16H,1,7-8H2/t9?,10?,11?,12?,13-,14+,15?
InChIKeySVPUWGGXIAIHLE-LIAQAWTCSA-N
MW214.31 g/mol
LogP2.55
Rot. Bonds2

About (2R,7S)-11-prop-2-enyltetracyclo[6.2.1.13,6.02,7]dodeca-4,9-dien-11-ol

(2R,7S)-11-prop-2-enyltetracyclo[6.2.1.13,6.02,7]dodeca-4,9-dien-11-ol (PubChem CID 155930241) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is (2R,7S)-11-prop-2-enyltetracyclo[6.2.1.13,6.02,7]dodeca-4,9-dien-11-ol.

Molecular Properties

Compound Name(2R,7S)-11-prop-2-enyltetracyclo[6.2.1.13,6.02,7]dodeca-4,9-dien-11-ol
PubChem CID155930241
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name(2R,7S)-11-prop-2-enyltetracyclo[6.2.1.13,6.02,7]dodeca-4,9-dien-11-ol
SMILESC=CCC1(O)C2C=CC1[C@@H]1C3C=CC(C3)[C@H]21
InChIInChI=1S/C15H18O/c1-2-7-15(16)11-5-6-12(15)14-10-4-3-9(8-10)13(11)14/h2-6,9-14,16H,1,7-8H2/t9?,10?,11?,12?,13-,14+,15?
InChIKeySVPUWGGXIAIHLE-LIAQAWTCSA-N
XLogP2.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,7S)-11-prop-2-enyltetracyclo[6.2.1.13,6.02,7]dodeca-4,9-dien-11-ol?
The IUPAC name of (2R,7S)-11-prop-2-enyltetracyclo[6.2.1.13,6.02,7]dodeca-4,9-dien-11-ol (CID 155930241) is (2R,7S)-11-prop-2-enyltetracyclo[6.2.1.13,6.02,7]dodeca-4,9-dien-11-ol.
What is the SMILES notation for (2R,7S)-11-prop-2-enyltetracyclo[6.2.1.13,6.02,7]dodeca-4,9-dien-11-ol?
The canonical SMILES for (2R,7S)-11-prop-2-enyltetracyclo[6.2.1.13,6.02,7]dodeca-4,9-dien-11-ol is C=CCC1(O)C2C=CC1[C@@H]1C3C=CC(C3)[C@H]21.
What is the InChIKey of (2R,7S)-11-prop-2-enyltetracyclo[6.2.1.13,6.02,7]dodeca-4,9-dien-11-ol?
The InChIKey is SVPUWGGXIAIHLE-LIAQAWTCSA-N. The full InChI is InChI=1S/C15H18O/c1-2-7-15(16)11-5-6-12(15)14-10-4-3-9(8-10)13(11)14/h2-6,9-14,16H,1,7-8H2/t9?,10?,11?,12?,13-,14+,15?.
What are the key properties of (2R,7S)-11-prop-2-enyltetracyclo[6.2.1.13,6.02,7]dodeca-4,9-dien-11-ol?
(2R,7S)-11-prop-2-enyltetracyclo[6.2.1.13,6.02,7]dodeca-4,9-dien-11-ol has a molecular weight of 214.31 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,7S)-11-prop-2-enyltetracyclo[6.2.1.13,6.02,7]dodeca-4,9-dien-11-ol is sourced from PubChem (CID 155930241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).