(1S,8S)-tetracyclo[8.2.1.18,11.02,7]tetradeca-2,4,6-trien-10-ol

C14H16O — CID 98125445

IUPAC(1S,8S)-tetracyclo[8.2.1.18,11.02,7]tetradeca-2,4,6-trien-10-ol
SMILESOC12C[C@@H]3CC1C[C@@H](C2)c1ccccc13
InChIInChI=1S/C14H16O/c15-14-7-9-5-11(14)6-10(8-14)13-4-2-1-3-12(9)13/h1-4,9-11,15H,5-8H2/t9-,10-,11?,14?/m0/s1
InChIKeyBFGGOZQIVLAOCH-PXAOEZFJSA-N
MW200.28 g/mol
LogP2.80
Rot. Bonds

About (1S,8S)-tetracyclo[8.2.1.18,11.02,7]tetradeca-2,4,6-trien-10-ol

(1S,8S)-tetracyclo[8.2.1.18,11.02,7]tetradeca-2,4,6-trien-10-ol (PubChem CID 98125445) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is (1S,8S)-tetracyclo[8.2.1.18,11.02,7]tetradeca-2,4,6-trien-10-ol.

Molecular Properties

Compound Name(1S,8S)-tetracyclo[8.2.1.18,11.02,7]tetradeca-2,4,6-trien-10-ol
PubChem CID98125445
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name(1S,8S)-tetracyclo[8.2.1.18,11.02,7]tetradeca-2,4,6-trien-10-ol
SMILESOC12C[C@@H]3CC1C[C@@H](C2)c1ccccc13
InChIInChI=1S/C14H16O/c15-14-7-9-5-11(14)6-10(8-14)13-4-2-1-3-12(9)13/h1-4,9-11,15H,5-8H2/t9-,10-,11?,14?/m0/s1
InChIKeyBFGGOZQIVLAOCH-PXAOEZFJSA-N
XLogP2.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,8S)-tetracyclo[8.2.1.18,11.02,7]tetradeca-2,4,6-trien-10-ol?
The IUPAC name of (1S,8S)-tetracyclo[8.2.1.18,11.02,7]tetradeca-2,4,6-trien-10-ol (CID 98125445) is (1S,8S)-tetracyclo[8.2.1.18,11.02,7]tetradeca-2,4,6-trien-10-ol.
What is the SMILES notation for (1S,8S)-tetracyclo[8.2.1.18,11.02,7]tetradeca-2,4,6-trien-10-ol?
The canonical SMILES for (1S,8S)-tetracyclo[8.2.1.18,11.02,7]tetradeca-2,4,6-trien-10-ol is OC12C[C@@H]3CC1C[C@@H](C2)c1ccccc13.
What is the InChIKey of (1S,8S)-tetracyclo[8.2.1.18,11.02,7]tetradeca-2,4,6-trien-10-ol?
The InChIKey is BFGGOZQIVLAOCH-PXAOEZFJSA-N. The full InChI is InChI=1S/C14H16O/c15-14-7-9-5-11(14)6-10(8-14)13-4-2-1-3-12(9)13/h1-4,9-11,15H,5-8H2/t9-,10-,11?,14?/m0/s1.
What are the key properties of (1S,8S)-tetracyclo[8.2.1.18,11.02,7]tetradeca-2,4,6-trien-10-ol?
(1S,8S)-tetracyclo[8.2.1.18,11.02,7]tetradeca-2,4,6-trien-10-ol has a molecular weight of 200.28 g/mol, XLogP of 2.80, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8S)-tetracyclo[8.2.1.18,11.02,7]tetradeca-2,4,6-trien-10-ol is sourced from PubChem (CID 98125445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).