(1R)-3-[(4S)-4-hydroxypentyl]cyclohex-2-en-1-ol

C11H20O2 — CID 16726220

IUPAC(1R)-3-[(4S)-4-hydroxypentyl]cyclohex-2-en-1-ol
SMILESC[C@H](O)CCCC1=C[C@H](O)CCC1
InChIInChI=1S/C11H20O2/c1-9(12)4-2-5-10-6-3-7-11(13)8-10/h8-9,11-13H,2-7H2,1H3/t9-,11+/m0/s1
InChIKeyHKKKASSOVNCRFW-GXSJLCMTSA-N
MW184.28 g/mol
LogP2.01
Rot. Bonds4

About (1R)-3-[(4S)-4-hydroxypentyl]cyclohex-2-en-1-ol

(1R)-3-[(4S)-4-hydroxypentyl]cyclohex-2-en-1-ol (PubChem CID 16726220) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (1R)-3-[(4S)-4-hydroxypentyl]cyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1R)-3-[(4S)-4-hydroxypentyl]cyclohex-2-en-1-ol
PubChem CID16726220
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(1R)-3-[(4S)-4-hydroxypentyl]cyclohex-2-en-1-ol
SMILESC[C@H](O)CCCC1=C[C@H](O)CCC1
InChIInChI=1S/C11H20O2/c1-9(12)4-2-5-10-6-3-7-11(13)8-10/h8-9,11-13H,2-7H2,1H3/t9-,11+/m0/s1
InChIKeyHKKKASSOVNCRFW-GXSJLCMTSA-N
XLogP2.01
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Cyclohex-1-en-1-yl)methanol
CID 317542
4-Methyldec-3-en-5-ol
CID 6441135
2-Cyclohexen-1-ol, 3-methyl-
CID 89487
1-Cyclohexyl-2-buten-1-ol (c,t)
CID 5358342
4-Methyl-3-decen-5-ol
CID 163336
2,10-Bisaboladiene-1,4-diol
CID 131752167
Boletinin C
CID 10426301
Boletinin D
CID 11416024
boletinin B
CID 11723673
2-Methyl-2-cyclohexen-1-ol
CID 300312
cis-Piperitenol
CID 6429050
(2-Methylcyclohex-1-en-1-yl)methanol
CID 565411

Frequently Asked Questions

What is the IUPAC name of (1R)-3-[(4S)-4-hydroxypentyl]cyclohex-2-en-1-ol?
The IUPAC name of (1R)-3-[(4S)-4-hydroxypentyl]cyclohex-2-en-1-ol (CID 16726220) is (1R)-3-[(4S)-4-hydroxypentyl]cyclohex-2-en-1-ol.
What is the SMILES notation for (1R)-3-[(4S)-4-hydroxypentyl]cyclohex-2-en-1-ol?
The canonical SMILES for (1R)-3-[(4S)-4-hydroxypentyl]cyclohex-2-en-1-ol is C[C@H](O)CCCC1=C[C@H](O)CCC1.
What is the InChIKey of (1R)-3-[(4S)-4-hydroxypentyl]cyclohex-2-en-1-ol?
The InChIKey is HKKKASSOVNCRFW-GXSJLCMTSA-N. The full InChI is InChI=1S/C11H20O2/c1-9(12)4-2-5-10-6-3-7-11(13)8-10/h8-9,11-13H,2-7H2,1H3/t9-,11+/m0/s1.
What are the key properties of (1R)-3-[(4S)-4-hydroxypentyl]cyclohex-2-en-1-ol?
(1R)-3-[(4S)-4-hydroxypentyl]cyclohex-2-en-1-ol has a molecular weight of 184.28 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-[(4S)-4-hydroxypentyl]cyclohex-2-en-1-ol is sourced from PubChem (CID 16726220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).