[(1S,3S)-1-methyl-3-(6-pentyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol

C22H34O — CID 145021568

IUPAC[(1S,3S)-1-methyl-3-(6-pentyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol
SMILESCCCCCC1CCc2cc([C@H]3CC[C@](C)(CO)C3)ccc2C1
InChIInChI=1S/C22H34O/c1-3-4-5-6-17-7-8-19-14-20(10-9-18(19)13-17)21-11-12-22(2,15-21)16-23/h9-10,14,17,21,23H,3-8,11-13,15-16H2,1-2H3/t17?,21-,22-/m0/s1
InChIKeyBQIASMKARCVLNP-VNQANMTISA-N
MW314.51 g/mol
LogP5.64
Rot. Bonds6

About [(1S,3S)-1-methyl-3-(6-pentyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol

[(1S,3S)-1-methyl-3-(6-pentyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol (PubChem CID 145021568) has the molecular formula C22H34O and a molecular weight of 314.51 g/mol. Its IUPAC name is [(1S,3S)-1-methyl-3-(6-pentyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol.

Molecular Properties

Compound Name[(1S,3S)-1-methyl-3-(6-pentyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol
PubChem CID145021568
Molecular FormulaC22H34O
Molecular Weight314.51 g/mol
Exact Mass314.26
IUPAC Name[(1S,3S)-1-methyl-3-(6-pentyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol
SMILESCCCCCC1CCc2cc([C@H]3CC[C@](C)(CO)C3)ccc2C1
InChIInChI=1S/C22H34O/c1-3-4-5-6-17-7-8-19-14-20(10-9-18(19)13-17)21-11-12-22(2,15-21)16-23/h9-10,14,17,21,23H,3-8,11-13,15-16H2,1-2H3/t17?,21-,22-/m0/s1
InChIKeyBQIASMKARCVLNP-VNQANMTISA-N
XLogP5.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.51
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [(1S,3S)-1-methyl-3-(6-pentyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S,3S)-3-[(6R)-6-[5-(dimethylamino)pentyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-1-methylcyclopentyl]methanol
CID 170026097
[(1R,3S)-1-amino-3-[(6S)-6-hexyl-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
CID 90342997
6-(4-butylcyclohexyl)-2-pentyl-1,2,3,4-tetrahydronaphthalene
CID 20500738
[(1S,3S)-1-methyl-3-[(6R)-6-[(4-methylphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
CID 169128718
[(1R,3S)-1-amino-3-[6-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
CID 118877246
[(1R,3R)-1-amino-3-[(6S)-6-(5-methoxypentyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
CID 118877371
2-butyl-6-(4-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 20500349
(5R,8S)-8-(6-hexyl-5,6,7,8-tetrahydronaphthalen-2-yl)-3-oxa-1-azaspiro[4.4]nonan-2-one
CID 86730048
2-ethyl-6-(4-hexylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 20500147
[[(1R,3S)-1-amino-3-[(6S)-6-hexyl-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]-hydroxymethyl] 2,2,2-trifluoroacetate
CID 142801075
[(1R,3S)-1-amino-3-[6-[(E)-hex-3-enyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
CID 118877304
2-butyl-6-(6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139865614

Frequently Asked Questions

What is the IUPAC name of [(1S,3S)-1-methyl-3-(6-pentyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol?
The IUPAC name of [(1S,3S)-1-methyl-3-(6-pentyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol (CID 145021568) is [(1S,3S)-1-methyl-3-(6-pentyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol.
What is the SMILES notation for [(1S,3S)-1-methyl-3-(6-pentyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol?
The canonical SMILES for [(1S,3S)-1-methyl-3-(6-pentyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol is CCCCCC1CCc2cc([C@H]3CC[C@](C)(CO)C3)ccc2C1.
What is the InChIKey of [(1S,3S)-1-methyl-3-(6-pentyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol?
The InChIKey is BQIASMKARCVLNP-VNQANMTISA-N. The full InChI is InChI=1S/C22H34O/c1-3-4-5-6-17-7-8-19-14-20(10-9-18(19)13-17)21-11-12-22(2,15-21)16-23/h9-10,14,17,21,23H,3-8,11-13,15-16H2,1-2H3/t17?,21-,22-/m0/s1.
What are the key properties of [(1S,3S)-1-methyl-3-(6-pentyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol?
[(1S,3S)-1-methyl-3-(6-pentyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol has a molecular weight of 314.51 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S)-1-methyl-3-(6-pentyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol is sourced from PubChem (CID 145021568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).