(1R)-3-propylcyclohex-2-en-1-ol

C9H16O — CID 101101480

IUPAC(1R)-3-propylcyclohex-2-en-1-ol
SMILESCCCC1=C[C@H](O)CCC1
InChIInChI=1S/C9H16O/c1-2-4-8-5-3-6-9(10)7-8/h7,9-10H,2-6H2,1H3/t9-/m1/s1
InChIKeyTVNNDZYTPPOYAD-SECBINFHSA-N
MW140.23 g/mol
LogP2.26
Rot. Bonds2

About (1R)-3-propylcyclohex-2-en-1-ol

(1R)-3-propylcyclohex-2-en-1-ol (PubChem CID 101101480) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (1R)-3-propylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1R)-3-propylcyclohex-2-en-1-ol
PubChem CID101101480
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(1R)-3-propylcyclohex-2-en-1-ol
SMILESCCCC1=C[C@H](O)CCC1
InChIInChI=1S/C9H16O/c1-2-4-8-5-3-6-9(10)7-8/h7,9-10H,2-6H2,1H3/t9-/m1/s1
InChIKeyTVNNDZYTPPOYAD-SECBINFHSA-N
XLogP2.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R)-3-ethylcyclohex-2-en-1-ol
CID 11252010
3-(3-ethylsulfonylpropyl)cyclohex-2-en-1-ol
CID 65177264
3-butylcyclopent-2-en-1-ol
CID 65174589
3-(3-ethylsulfanylpropyl)cyclohept-2-en-1-ol
CID 107383662
3-methylcyclohex-2-en-1-ol;propane
CID 142858327
3-hept-6-enylcyclohex-2-en-1-ol
CID 107010524
3-(2-methylpentyl)cyclohept-2-en-1-ol
CID 107383651
3-(oxan-4-ylmethyl)cyclohex-2-en-1-ol
CID 65177375
3-[(2-methylphenyl)methyl]cyclohex-2-en-1-ol
CID 65172216
3-(3-methylbut-3-enyl)cyclopent-2-en-1-ol
CID 114477354
3-bromocyclohex-2-en-1-ol
CID 566108
3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclohex-2-en-1-ol
CID 79224668

Frequently Asked Questions

What is the IUPAC name of (1R)-3-propylcyclohex-2-en-1-ol?
The IUPAC name of (1R)-3-propylcyclohex-2-en-1-ol (CID 101101480) is (1R)-3-propylcyclohex-2-en-1-ol.
What is the SMILES notation for (1R)-3-propylcyclohex-2-en-1-ol?
The canonical SMILES for (1R)-3-propylcyclohex-2-en-1-ol is CCCC1=C[C@H](O)CCC1.
What is the InChIKey of (1R)-3-propylcyclohex-2-en-1-ol?
The InChIKey is TVNNDZYTPPOYAD-SECBINFHSA-N. The full InChI is InChI=1S/C9H16O/c1-2-4-8-5-3-6-9(10)7-8/h7,9-10H,2-6H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-3-propylcyclohex-2-en-1-ol?
(1R)-3-propylcyclohex-2-en-1-ol has a molecular weight of 140.23 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-propylcyclohex-2-en-1-ol is sourced from PubChem (CID 101101480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).