[(8Z)-5,6,7,10,11,12-hexahydrobenzo[10]annulen-6-yl]methanol

C15H20O — CID 173213584

IUPAC[(8Z)-5,6,7,10,11,12-hexahydrobenzo[10]annulen-6-yl]methanol
SMILESOCC1C/C=C\CCCc2ccccc2C1
InChIInChI=1S/C15H20O/c16-12-13-7-3-1-2-4-8-14-9-5-6-10-15(14)11-13/h1,3,5-6,9-10,13,16H,2,4,7-8,11-12H2/b3-1-
InChIKeyIKESAMVKNPNMIU-IWQZZHSRSA-N
MW216.32 g/mol
LogP3.12
Rot. Bonds1

About [(8Z)-5,6,7,10,11,12-hexahydrobenzo[10]annulen-6-yl]methanol

[(8Z)-5,6,7,10,11,12-hexahydrobenzo[10]annulen-6-yl]methanol (PubChem CID 173213584) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is [(8Z)-5,6,7,10,11,12-hexahydrobenzo[10]annulen-6-yl]methanol.

Molecular Properties

Compound Name[(8Z)-5,6,7,10,11,12-hexahydrobenzo[10]annulen-6-yl]methanol
PubChem CID173213584
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name[(8Z)-5,6,7,10,11,12-hexahydrobenzo[10]annulen-6-yl]methanol
SMILESOCC1C/C=C\CCCc2ccccc2C1
InChIInChI=1S/C15H20O/c16-12-13-7-3-1-2-4-8-14-9-5-6-10-15(14)11-13/h1,3,5-6,9-10,13,16H,2,4,7-8,11-12H2/b3-1-
InChIKeyIKESAMVKNPNMIU-IWQZZHSRSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 [(8Z)-5,6,7,10,11,12-hexahydrobenzo[10]annulen-6-yl]methanol?
The IUPAC name of [(8Z)-5,6,7,10,11,12-hexahydrobenzo[10]annulen-6-yl]methanol (CID 173213584) is [(8Z)-5,6,7,10,11,12-hexahydrobenzo[10]annulen-6-yl]methanol.
What is the SMILES notation for [(8Z)-5,6,7,10,11,12-hexahydrobenzo[10]annulen-6-yl]methanol?
The canonical SMILES for [(8Z)-5,6,7,10,11,12-hexahydrobenzo[10]annulen-6-yl]methanol is OCC1C/C=C\CCCc2ccccc2C1.
What is the InChIKey of [(8Z)-5,6,7,10,11,12-hexahydrobenzo[10]annulen-6-yl]methanol?
The InChIKey is IKESAMVKNPNMIU-IWQZZHSRSA-N. The full InChI is InChI=1S/C15H20O/c16-12-13-7-3-1-2-4-8-14-9-5-6-10-15(14)11-13/h1,3,5-6,9-10,13,16H,2,4,7-8,11-12H2/b3-1-.
What are the key properties of [(8Z)-5,6,7,10,11,12-hexahydrobenzo[10]annulen-6-yl]methanol?
[(8Z)-5,6,7,10,11,12-hexahydrobenzo[10]annulen-6-yl]methanol has a molecular weight of 216.32 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(8Z)-5,6,7,10,11,12-hexahydrobenzo[10]annulen-6-yl]methanol is sourced from PubChem (CID 173213584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).