1,2,3,6,7,8,9,10-octahydrocyclohepta[e]inden-4-ol

C14H18O — CID 102314511

IUPAC1,2,3,6,7,8,9,10-octahydrocyclohepta[e]inden-4-ol
SMILESOc1cc2c(c3c1CCC3)CCCCC2
InChIInChI=1S/C14H18O/c15-14-9-10-5-2-1-3-6-11(10)12-7-4-8-13(12)14/h9,15H,1-8H2
InChIKeyBDGGCTGCVXPGSX-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.15
Rot. Bonds

About 1,2,3,6,7,8,9,10-octahydrocyclohepta[e]inden-4-ol

1,2,3,6,7,8,9,10-octahydrocyclohepta[e]inden-4-ol (PubChem CID 102314511) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 1,2,3,6,7,8,9,10-octahydrocyclohepta[e]inden-4-ol.

Molecular Properties

Compound Name1,2,3,6,7,8,9,10-octahydrocyclohepta[e]inden-4-ol
PubChem CID102314511
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name1,2,3,6,7,8,9,10-octahydrocyclohepta[e]inden-4-ol
SMILESOc1cc2c(c3c1CCC3)CCCCC2
InChIInChI=1S/C14H18O/c15-14-9-10-5-2-1-3-6-11(10)12-7-4-8-13(12)14/h9,15H,1-8H2
InChIKeyBDGGCTGCVXPGSX-UHFFFAOYSA-N
XLogP3.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,6,7,8,9,10-octahydrocyclohepta[e]inden-4-ol?
The IUPAC name of 1,2,3,6,7,8,9,10-octahydrocyclohepta[e]inden-4-ol (CID 102314511) is 1,2,3,6,7,8,9,10-octahydrocyclohepta[e]inden-4-ol.
What is the SMILES notation for 1,2,3,6,7,8,9,10-octahydrocyclohepta[e]inden-4-ol?
The canonical SMILES for 1,2,3,6,7,8,9,10-octahydrocyclohepta[e]inden-4-ol is Oc1cc2c(c3c1CCC3)CCCCC2.
What is the InChIKey of 1,2,3,6,7,8,9,10-octahydrocyclohepta[e]inden-4-ol?
The InChIKey is BDGGCTGCVXPGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c15-14-9-10-5-2-1-3-6-11(10)12-7-4-8-13(12)14/h9,15H,1-8H2.
What are the key properties of 1,2,3,6,7,8,9,10-octahydrocyclohepta[e]inden-4-ol?
1,2,3,6,7,8,9,10-octahydrocyclohepta[e]inden-4-ol has a molecular weight of 202.30 g/mol, XLogP of 3.15, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,6,7,8,9,10-octahydrocyclohepta[e]inden-4-ol is sourced from PubChem (CID 102314511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).