5-methyl-2-propan-2-yl-1,3,5-tris(prop-2-enyl)cyclohexan-1-ol

C19H32O — CID 175534938

IUPAC5-methyl-2-propan-2-yl-1,3,5-tris(prop-2-enyl)cyclohexan-1-ol
SMILESC=CCC1CC(C)(CC=C)CC(O)(CC=C)C1C(C)C
InChIInChI=1S/C19H32O/c1-7-10-16-13-18(6,11-8-2)14-19(20,12-9-3)17(16)15(4)5/h7-9,15-17,20H,1-3,10-14H2,4-6H3
InChIKeyINKLUEMLNZJKJL-UHFFFAOYSA-N
MW276.46 g/mol
LogP5.13
Rot. Bonds7

About 5-methyl-2-propan-2-yl-1,3,5-tris(prop-2-enyl)cyclohexan-1-ol

5-methyl-2-propan-2-yl-1,3,5-tris(prop-2-enyl)cyclohexan-1-ol (PubChem CID 175534938) has the molecular formula C19H32O and a molecular weight of 276.46 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-1,3,5-tris(prop-2-enyl)cyclohexan-1-ol.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-1,3,5-tris(prop-2-enyl)cyclohexan-1-ol
PubChem CID175534938
Molecular FormulaC19H32O
Molecular Weight276.46 g/mol
Exact Mass276.25
IUPAC Name5-methyl-2-propan-2-yl-1,3,5-tris(prop-2-enyl)cyclohexan-1-ol
SMILESC=CCC1CC(C)(CC=C)CC(O)(CC=C)C1C(C)C
InChIInChI=1S/C19H32O/c1-7-10-16-13-18(6,11-8-2)14-19(20,12-9-3)17(16)15(4)5/h7-9,15-17,20H,1-3,10-14H2,4-6H3
InChIKeyINKLUEMLNZJKJL-UHFFFAOYSA-N
XLogP5.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.46
LogP ≤ 55.13
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

1,1,3,5-tetramethyl-3-prop-2-enylcyclohexane
CID 149337768
(1S,2S,5R)-5-methyl-2-propan-2-yl-1-prop-2-enylcyclohexan-1-ol
CID 11401335
1,3,5,7-tetramethyl-3-prop-2-enylbicyclo[3.3.1]nonane
CID 143368961
(4-methyl-4-prop-2-enyloxolan-2-yl)methanol
CID 130147797
1,1-dimethyl-2-prop-2-enylcyclopropane
CID 534921
(2S,4R,7R,9S)-2,5,9-trimethyl-4,7-bis(prop-2-enyl)tricyclo[4.3.0.01,5]nonane-4,7-diol
CID 102022515
(1R)-2-methyl-1-prop-2-enylcyclopentan-1-ol
CID 147800064
1,1-dichloro-2-methyl-2-prop-2-enylcyclopropane
CID 70399256
(1R,5R)-8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol
CID 7223736
(2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-4-yl)methanol
CID 130148389
1,2-dimethyl-2-propan-2-yl-4-prop-2-enylbicyclo[1.1.0]butane
CID 91019597
1,5-dimethyl-8-prop-2-enylbicyclo[3.2.1]octan-8-ol
CID 70541588

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-1,3,5-tris(prop-2-enyl)cyclohexan-1-ol?
The IUPAC name of 5-methyl-2-propan-2-yl-1,3,5-tris(prop-2-enyl)cyclohexan-1-ol (CID 175534938) is 5-methyl-2-propan-2-yl-1,3,5-tris(prop-2-enyl)cyclohexan-1-ol.
What is the SMILES notation for 5-methyl-2-propan-2-yl-1,3,5-tris(prop-2-enyl)cyclohexan-1-ol?
The canonical SMILES for 5-methyl-2-propan-2-yl-1,3,5-tris(prop-2-enyl)cyclohexan-1-ol is C=CCC1CC(C)(CC=C)CC(O)(CC=C)C1C(C)C.
What is the InChIKey of 5-methyl-2-propan-2-yl-1,3,5-tris(prop-2-enyl)cyclohexan-1-ol?
The InChIKey is INKLUEMLNZJKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O/c1-7-10-16-13-18(6,11-8-2)14-19(20,12-9-3)17(16)15(4)5/h7-9,15-17,20H,1-3,10-14H2,4-6H3.
What are the key properties of 5-methyl-2-propan-2-yl-1,3,5-tris(prop-2-enyl)cyclohexan-1-ol?
5-methyl-2-propan-2-yl-1,3,5-tris(prop-2-enyl)cyclohexan-1-ol has a molecular weight of 276.46 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-1,3,5-tris(prop-2-enyl)cyclohexan-1-ol is sourced from PubChem (CID 175534938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).