4,5-dipropylcyclohex-2-en-1-ol

C12H22O — CID 101312145

IUPAC4,5-dipropylcyclohex-2-en-1-ol
SMILESCCCC1C=CC(O)CC1CCC
InChIInChI=1S/C12H22O/c1-3-5-10-7-8-12(13)9-11(10)6-4-2/h7-8,10-13H,3-6,9H2,1-2H3
InChIKeyMBTPCUKLUHURSN-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.14
Rot. Bonds4

About 4,5-dipropylcyclohex-2-en-1-ol

4,5-dipropylcyclohex-2-en-1-ol (PubChem CID 101312145) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 4,5-dipropylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name4,5-dipropylcyclohex-2-en-1-ol
PubChem CID101312145
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name4,5-dipropylcyclohex-2-en-1-ol
SMILESCCCC1C=CC(O)CC1CCC
InChIInChI=1S/C12H22O/c1-3-5-10-7-8-12(13)9-11(10)6-4-2/h7-8,10-13H,3-6,9H2,1-2H3
InChIKeyMBTPCUKLUHURSN-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
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

4-butylcyclopent-2-en-1-ol
CID 13414982
2-propylcyclohexane-1,4-diol
CID 89257932
2,5-dimethyl-4-propylcyclohexan-1-ol
CID 58534195
(1S,2R,5S)-5-methyl-2-propylcyclohexan-1-ol
CID 11899231
(1R,4R)-4-ethylcyclopent-2-en-1-ol
CID 12026726
2-methyl-4-propylcyclobutan-1-ol
CID 91553284
(1R)-2-propylcyclohexan-1-ol
CID 144627240
3,4,5-tripropylcyclohexene
CID 21482570
cis-(1R,2R)-2-butylcyclopropan-1-ol
CID 14453673
cis-(1S,2S)-2-butylcyclopropan-1-ol
CID 14453674
ethane;1-methyl-2-propylcyclopropane
CID 144710386
4-methoxy-3-propylcyclohexan-1-ol
CID 142147619

Frequently Asked Questions

What is the IUPAC name of 4,5-dipropylcyclohex-2-en-1-ol?
The IUPAC name of 4,5-dipropylcyclohex-2-en-1-ol (CID 101312145) is 4,5-dipropylcyclohex-2-en-1-ol.
What is the SMILES notation for 4,5-dipropylcyclohex-2-en-1-ol?
The canonical SMILES for 4,5-dipropylcyclohex-2-en-1-ol is CCCC1C=CC(O)CC1CCC.
What is the InChIKey of 4,5-dipropylcyclohex-2-en-1-ol?
The InChIKey is MBTPCUKLUHURSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-3-5-10-7-8-12(13)9-11(10)6-4-2/h7-8,10-13H,3-6,9H2,1-2H3.
What are the key properties of 4,5-dipropylcyclohex-2-en-1-ol?
4,5-dipropylcyclohex-2-en-1-ol has a molecular weight of 182.31 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dipropylcyclohex-2-en-1-ol is sourced from PubChem (CID 101312145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).