1,3-dipropylcyclohex-3-en-1-ol

C12H22O — CID 101312174

IUPAC1,3-dipropylcyclohex-3-en-1-ol
SMILESCCCC1=CCCC(O)(CCC)C1
InChIInChI=1S/C12H22O/c1-3-6-11-7-5-9-12(13,10-11)8-4-2/h7,13H,3-6,8-10H2,1-2H3
InChIKeySPNNGTPLEXTXLY-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.43
Rot. Bonds4

About 1,3-dipropylcyclohex-3-en-1-ol

1,3-dipropylcyclohex-3-en-1-ol (PubChem CID 101312174) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 1,3-dipropylcyclohex-3-en-1-ol.

Molecular Properties

Compound Name1,3-dipropylcyclohex-3-en-1-ol
PubChem CID101312174
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name1,3-dipropylcyclohex-3-en-1-ol
SMILESCCCC1=CCCC(O)(CCC)C1
InChIInChI=1S/C12H22O/c1-3-6-11-7-5-9-12(13,10-11)8-4-2/h7,13H,3-6,8-10H2,1-2H3
InChIKeySPNNGTPLEXTXLY-UHFFFAOYSA-N
XLogP3.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.43
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

(2,6,6-trimethyl-1-propylcyclohex-2-en-1-yl)methanol
CID 57314612
5,5-dibutyl-1-propylcyclopentene
CID 159049930
(3Z)-1-propylcyclooct-3-en-1-ol
CID 11332696
(2,5-dipropyl-3,4-dihydropyran-2-yl)methanol
CID 3020014
5-methylidene-1-propylcyclodecene
CID 123607448
2-[1-methyl-3-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethanol
CID 71323597
8-propylspiro[4.5]decan-8-ol
CID 114819227
2-methyl-1-(1-methyl-3-propylcyclopent-3-en-1-yl)prop-2-en-1-amine
CID 134527332
1,4-dipropylcyclopenta-1,3-diene
CID 19391248
5-butylbicyclo[3.2.0]hept-1-ene
CID 163774181
1-(4-propylphenyl)cyclobutan-1-ol
CID 79080570
1-(4-propylphenyl)cyclopentan-1-ol
CID 62802063

Frequently Asked Questions

What is the IUPAC name of 1,3-dipropylcyclohex-3-en-1-ol?
The IUPAC name of 1,3-dipropylcyclohex-3-en-1-ol (CID 101312174) is 1,3-dipropylcyclohex-3-en-1-ol.
What is the SMILES notation for 1,3-dipropylcyclohex-3-en-1-ol?
The canonical SMILES for 1,3-dipropylcyclohex-3-en-1-ol is CCCC1=CCCC(O)(CCC)C1.
What is the InChIKey of 1,3-dipropylcyclohex-3-en-1-ol?
The InChIKey is SPNNGTPLEXTXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-3-6-11-7-5-9-12(13,10-11)8-4-2/h7,13H,3-6,8-10H2,1-2H3.
What are the key properties of 1,3-dipropylcyclohex-3-en-1-ol?
1,3-dipropylcyclohex-3-en-1-ol has a molecular weight of 182.31 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dipropylcyclohex-3-en-1-ol is sourced from PubChem (CID 101312174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).