7,7-dimethyl-2,3,5,6,8,9-hexahydro-1H-cyclohepta[f]inden-5-ol

C16H22O — CID 113319284

IUPAC7,7-dimethyl-2,3,5,6,8,9-hexahydro-1H-cyclohepta[f]inden-5-ol
SMILESCC1(C)CCc2cc3c(cc2C(O)C1)CCC3
InChIInChI=1S/C16H22O/c1-16(2)7-6-13-8-11-4-3-5-12(11)9-14(13)15(17)10-16/h8-9,15,17H,3-7,10H2,1-2H3
InChIKeyYPTAYWXAVQFYDZ-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.57
Rot. Bonds

About 7,7-dimethyl-2,3,5,6,8,9-hexahydro-1H-cyclohepta[f]inden-5-ol

7,7-dimethyl-2,3,5,6,8,9-hexahydro-1H-cyclohepta[f]inden-5-ol (PubChem CID 113319284) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 7,7-dimethyl-2,3,5,6,8,9-hexahydro-1H-cyclohepta[f]inden-5-ol.

Molecular Properties

Compound Name7,7-dimethyl-2,3,5,6,8,9-hexahydro-1H-cyclohepta[f]inden-5-ol
PubChem CID113319284
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name7,7-dimethyl-2,3,5,6,8,9-hexahydro-1H-cyclohepta[f]inden-5-ol
SMILESCC1(C)CCc2cc3c(cc2C(O)C1)CCC3
InChIInChI=1S/C16H22O/c1-16(2)7-6-13-8-11-4-3-5-12(11)9-14(13)15(17)10-16/h8-9,15,17H,3-7,10H2,1-2H3
InChIKeyYPTAYWXAVQFYDZ-UHFFFAOYSA-N
XLogP3.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,7,7-tetramethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 115483250
5-bromo-7,7-dimethyl-2,3,5,6,8,9-hexahydro-1H-cyclohepta[f]indene
CID 115483281
2,3-diethyl-7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 113319285
3-fluoro-7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 62934544
3-chloro-7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 62934374
(1S)-3,3-dimethyl-1,2,5,6,7,8-hexahydrocyclopenta[b]naphthalen-1-ol
CID 115483220
(6S)-2,3,4,6,7,8,9,10-octahydro-1H-cyclohepta[b]naphthalen-6-ol
CID 115483216
1,2,3-trimethoxy-7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 62934715
(6R)-1,1,4,4-tetramethyl-3,6,7,8,9,10-hexahydro-2H-cyclohepta[b]naphthalen-6-ol
CID 104889645
(5S)-8-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[g]naphthalen-5-ol
CID 115483234
8-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[g]naphthalen-5-ol
CID 115483235
(1R)-3,3-dimethyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine
CID 115483155

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2,3,5,6,8,9-hexahydro-1H-cyclohepta[f]inden-5-ol?
The IUPAC name of 7,7-dimethyl-2,3,5,6,8,9-hexahydro-1H-cyclohepta[f]inden-5-ol (CID 113319284) is 7,7-dimethyl-2,3,5,6,8,9-hexahydro-1H-cyclohepta[f]inden-5-ol.
What is the SMILES notation for 7,7-dimethyl-2,3,5,6,8,9-hexahydro-1H-cyclohepta[f]inden-5-ol?
The canonical SMILES for 7,7-dimethyl-2,3,5,6,8,9-hexahydro-1H-cyclohepta[f]inden-5-ol is CC1(C)CCc2cc3c(cc2C(O)C1)CCC3.
What is the InChIKey of 7,7-dimethyl-2,3,5,6,8,9-hexahydro-1H-cyclohepta[f]inden-5-ol?
The InChIKey is YPTAYWXAVQFYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-16(2)7-6-13-8-11-4-3-5-12(11)9-14(13)15(17)10-16/h8-9,15,17H,3-7,10H2,1-2H3.
What are the key properties of 7,7-dimethyl-2,3,5,6,8,9-hexahydro-1H-cyclohepta[f]inden-5-ol?
7,7-dimethyl-2,3,5,6,8,9-hexahydro-1H-cyclohepta[f]inden-5-ol has a molecular weight of 230.35 g/mol, XLogP of 3.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2,3,5,6,8,9-hexahydro-1H-cyclohepta[f]inden-5-ol is sourced from PubChem (CID 113319284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).