(10Z)-tricyclo[10.4.0.03,8]hexadeca-1(12),3,5,7,10,13-hexaen-9-ol

C16H16O — CID 6434765

IUPAC(10Z)-tricyclo[10.4.0.03,8]hexadeca-1(12),3,5,7,10,13-hexaen-9-ol
SMILESOC1/C=C\C2=C(CCC=C2)Cc2ccccc21
InChIInChI=1S/C16H16O/c17-16-10-9-12-5-1-2-6-13(12)11-14-7-3-4-8-15(14)16/h1,3-5,7-10,16-17H,2,6,11H2/b10-9-
InChIKeyNNRDTDHBXOGJDV-KTKRTIGZSA-N
MW224.30 g/mol
LogP3.48
Rot. Bonds

About (10Z)-tricyclo[10.4.0.03,8]hexadeca-1(12),3,5,7,10,13-hexaen-9-ol

(10Z)-tricyclo[10.4.0.03,8]hexadeca-1(12),3,5,7,10,13-hexaen-9-ol (PubChem CID 6434765) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is (10Z)-tricyclo[10.4.0.03,8]hexadeca-1(12),3,5,7,10,13-hexaen-9-ol.

Molecular Properties

Compound Name(10Z)-tricyclo[10.4.0.03,8]hexadeca-1(12),3,5,7,10,13-hexaen-9-ol
PubChem CID6434765
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name(10Z)-tricyclo[10.4.0.03,8]hexadeca-1(12),3,5,7,10,13-hexaen-9-ol
SMILESOC1/C=C\C2=C(CCC=C2)Cc2ccccc21
InChIInChI=1S/C16H16O/c17-16-10-9-12-5-1-2-6-13(12)11-14-7-3-4-8-15(14)16/h1,3-5,7-10,16-17H,2,6,11H2/b10-9-
InChIKeyNNRDTDHBXOGJDV-KTKRTIGZSA-N
XLogP3.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (10Z)-tricyclo[10.4.0.03,8]hexadeca-1(12),3,5,7,10,13-hexaen-9-ol?
The IUPAC name of (10Z)-tricyclo[10.4.0.03,8]hexadeca-1(12),3,5,7,10,13-hexaen-9-ol (CID 6434765) is (10Z)-tricyclo[10.4.0.03,8]hexadeca-1(12),3,5,7,10,13-hexaen-9-ol.
What is the SMILES notation for (10Z)-tricyclo[10.4.0.03,8]hexadeca-1(12),3,5,7,10,13-hexaen-9-ol?
The canonical SMILES for (10Z)-tricyclo[10.4.0.03,8]hexadeca-1(12),3,5,7,10,13-hexaen-9-ol is OC1/C=C\C2=C(CCC=C2)Cc2ccccc21.
What is the InChIKey of (10Z)-tricyclo[10.4.0.03,8]hexadeca-1(12),3,5,7,10,13-hexaen-9-ol?
The InChIKey is NNRDTDHBXOGJDV-KTKRTIGZSA-N. The full InChI is InChI=1S/C16H16O/c17-16-10-9-12-5-1-2-6-13(12)11-14-7-3-4-8-15(14)16/h1,3-5,7-10,16-17H,2,6,11H2/b10-9-.
What are the key properties of (10Z)-tricyclo[10.4.0.03,8]hexadeca-1(12),3,5,7,10,13-hexaen-9-ol?
(10Z)-tricyclo[10.4.0.03,8]hexadeca-1(12),3,5,7,10,13-hexaen-9-ol has a molecular weight of 224.30 g/mol, XLogP of 3.48, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (10Z)-tricyclo[10.4.0.03,8]hexadeca-1(12),3,5,7,10,13-hexaen-9-ol is sourced from PubChem (CID 6434765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).