(1S)-3,3-dimethyl-1,2,5,6,7,8-hexahydrocyclopenta[b]naphthalen-1-ol

C15H20O — CID 115483220

IUPAC(1S)-3,3-dimethyl-1,2,5,6,7,8-hexahydrocyclopenta[b]naphthalen-1-ol
SMILESCC1(C)C[C@H](O)c2cc3c(cc21)CCCC3
InChIInChI=1S/C15H20O/c1-15(2)9-14(16)12-7-10-5-3-4-6-11(10)8-13(12)15/h7-8,14,16H,3-6,9H2,1-2H3/t14-/m0/s1
InChIKeyJHPCPJYKPXAKPU-AWEZNQCLSA-N
MW216.32 g/mol
LogP3.28
Rot. Bonds

About (1S)-3,3-dimethyl-1,2,5,6,7,8-hexahydrocyclopenta[b]naphthalen-1-ol

(1S)-3,3-dimethyl-1,2,5,6,7,8-hexahydrocyclopenta[b]naphthalen-1-ol (PubChem CID 115483220) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is (1S)-3,3-dimethyl-1,2,5,6,7,8-hexahydrocyclopenta[b]naphthalen-1-ol.

Molecular Properties

Compound Name(1S)-3,3-dimethyl-1,2,5,6,7,8-hexahydrocyclopenta[b]naphthalen-1-ol
PubChem CID115483220
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name(1S)-3,3-dimethyl-1,2,5,6,7,8-hexahydrocyclopenta[b]naphthalen-1-ol
SMILESCC1(C)C[C@H](O)c2cc3c(cc21)CCCC3
InChIInChI=1S/C15H20O/c1-15(2)9-14(16)12-7-10-5-3-4-6-11(10)8-13(12)15/h7-8,14,16H,3-6,9H2,1-2H3/t14-/m0/s1
InChIKeyJHPCPJYKPXAKPU-AWEZNQCLSA-N
XLogP3.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-3,3-dimethyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine
CID 115483155
N,3,3-trimethyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine
CID 115483154
7,7-dimethyl-2,3,5,6,8,9-hexahydro-1H-cyclohepta[f]inden-5-ol
CID 113319284
(6R)-1,1,4,4-tetramethyl-3,6,7,8,9,10-hexahydro-2H-cyclohepta[b]naphthalen-6-ol
CID 104889645
(1S)-6-bromo-3,3-dimethyl-1,2-dihydroinden-1-ol
CID 79837956
(1R)-6-fluoro-3,3-dimethyl-1,2-dihydroinden-1-ol
CID 79837861
1,1,3,3-tetramethyl-5,6,7,8-tetrahydro-2H-cyclopenta[b]naphthalene
CID 139783545
3,3-dimethyl-N-propyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine
CID 115483148
(9S)-3,7,7-trimethyl-3,4,8,9-tetrahydro-2H-cyclopenta[h][1,5]benzodioxepin-9-ol
CID 79837678
(1S)-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-ol
CID 79837765
(6S)-2,3,4,6,7,8,9,10-octahydro-1H-cyclohepta[b]naphthalen-6-ol
CID 115483216
(1R)-4-methyl-1,2,3,4,5,6,7,8-octahydroanthracen-1-ol
CID 115483213

Frequently Asked Questions

What is the IUPAC name of (1S)-3,3-dimethyl-1,2,5,6,7,8-hexahydrocyclopenta[b]naphthalen-1-ol?
The IUPAC name of (1S)-3,3-dimethyl-1,2,5,6,7,8-hexahydrocyclopenta[b]naphthalen-1-ol (CID 115483220) is (1S)-3,3-dimethyl-1,2,5,6,7,8-hexahydrocyclopenta[b]naphthalen-1-ol.
What is the SMILES notation for (1S)-3,3-dimethyl-1,2,5,6,7,8-hexahydrocyclopenta[b]naphthalen-1-ol?
The canonical SMILES for (1S)-3,3-dimethyl-1,2,5,6,7,8-hexahydrocyclopenta[b]naphthalen-1-ol is CC1(C)C[C@H](O)c2cc3c(cc21)CCCC3.
What is the InChIKey of (1S)-3,3-dimethyl-1,2,5,6,7,8-hexahydrocyclopenta[b]naphthalen-1-ol?
The InChIKey is JHPCPJYKPXAKPU-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H20O/c1-15(2)9-14(16)12-7-10-5-3-4-6-11(10)8-13(12)15/h7-8,14,16H,3-6,9H2,1-2H3/t14-/m0/s1.
What are the key properties of (1S)-3,3-dimethyl-1,2,5,6,7,8-hexahydrocyclopenta[b]naphthalen-1-ol?
(1S)-3,3-dimethyl-1,2,5,6,7,8-hexahydrocyclopenta[b]naphthalen-1-ol has a molecular weight of 216.32 g/mol, XLogP of 3.28, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3,3-dimethyl-1,2,5,6,7,8-hexahydrocyclopenta[b]naphthalen-1-ol is sourced from PubChem (CID 115483220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).