[(1R,3aR,7aR)-1-methyl-1,2,3,7a-tetrahydroinden-3a-yl]methanol

C11H16O — CID 101093039

IUPAC[(1R,3aR,7aR)-1-methyl-1,2,3,7a-tetrahydroinden-3a-yl]methanol
SMILESC[C@@H]1CC[C@@]2(CO)C=CC=C[C@@H]12
InChIInChI=1S/C11H16O/c1-9-5-7-11(8-12)6-3-2-4-10(9)11/h2-4,6,9-10,12H,5,7-8H2,1H3/t9-,10+,11-/m1/s1
InChIKeyNXGOAZMQJRBLKP-OUAUKWLOSA-N
MW164.25 g/mol
LogP2.14
Rot. Bonds1

About [(1R,3aR,7aR)-1-methyl-1,2,3,7a-tetrahydroinden-3a-yl]methanol

[(1R,3aR,7aR)-1-methyl-1,2,3,7a-tetrahydroinden-3a-yl]methanol (PubChem CID 101093039) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is [(1R,3aR,7aR)-1-methyl-1,2,3,7a-tetrahydroinden-3a-yl]methanol.

Molecular Properties

Compound Name[(1R,3aR,7aR)-1-methyl-1,2,3,7a-tetrahydroinden-3a-yl]methanol
PubChem CID101093039
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name[(1R,3aR,7aR)-1-methyl-1,2,3,7a-tetrahydroinden-3a-yl]methanol
SMILESC[C@@H]1CC[C@@]2(CO)C=CC=C[C@@H]12
InChIInChI=1S/C11H16O/c1-9-5-7-11(8-12)6-3-2-4-10(9)11/h2-4,6,9-10,12H,5,7-8H2,1H3/t9-,10+,11-/m1/s1
InChIKeyNXGOAZMQJRBLKP-OUAUKWLOSA-N
XLogP2.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [(1R,3aR,7aR)-1-methyl-1,2,3,7a-tetrahydroinden-3a-yl]methanol with MolForge

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Related Compounds

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CID 90487116
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(1,6-dimethylcyclohexa-2,4-dien-1-yl)methanol
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[(1S)-1-cyclohexylcyclohexa-2,4-dien-1-yl]methanol
CID 141254787
5-amino-5-(hydroxymethyl)-2-methylcyclohexan-1-ol
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1-(hydroxymethyl)-6-methylcyclohexa-2,4-diene-1-carbaldehyde
CID 123247195
ethane;5-methylcyclopenta-1,3-diene
CID 91295870
ethane;spiro[2,3,4a,8a-tetrahydro-1H-naphthalene-4,1'-cyclopentane]
CID 153348404
[1-[[(4-propan-2-ylcyclohexyl)amino]methyl]cyclopropyl]methanol
CID 79479823
cis-(1S,5R)-2-methyl-5-propan-2-ylcyclohexan-1-ol
CID 168820123
6-ethyl-5-fluoro-5-methylcyclohexa-1,3-diene
CID 139457511
6-(hydroxymethyl)-6-methoxycyclohexa-2,4-dien-1-ol
CID 70370707

Frequently Asked Questions

What is the IUPAC name of [(1R,3aR,7aR)-1-methyl-1,2,3,7a-tetrahydroinden-3a-yl]methanol?
The IUPAC name of [(1R,3aR,7aR)-1-methyl-1,2,3,7a-tetrahydroinden-3a-yl]methanol (CID 101093039) is [(1R,3aR,7aR)-1-methyl-1,2,3,7a-tetrahydroinden-3a-yl]methanol.
What is the SMILES notation for [(1R,3aR,7aR)-1-methyl-1,2,3,7a-tetrahydroinden-3a-yl]methanol?
The canonical SMILES for [(1R,3aR,7aR)-1-methyl-1,2,3,7a-tetrahydroinden-3a-yl]methanol is C[C@@H]1CC[C@@]2(CO)C=CC=C[C@@H]12.
What is the InChIKey of [(1R,3aR,7aR)-1-methyl-1,2,3,7a-tetrahydroinden-3a-yl]methanol?
The InChIKey is NXGOAZMQJRBLKP-OUAUKWLOSA-N. The full InChI is InChI=1S/C11H16O/c1-9-5-7-11(8-12)6-3-2-4-10(9)11/h2-4,6,9-10,12H,5,7-8H2,1H3/t9-,10+,11-/m1/s1.
What are the key properties of [(1R,3aR,7aR)-1-methyl-1,2,3,7a-tetrahydroinden-3a-yl]methanol?
[(1R,3aR,7aR)-1-methyl-1,2,3,7a-tetrahydroinden-3a-yl]methanol has a molecular weight of 164.25 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3aR,7aR)-1-methyl-1,2,3,7a-tetrahydroinden-3a-yl]methanol is sourced from PubChem (CID 101093039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).