4-tert-butyl-1-methyl-2-prop-2-enylcyclohexan-1-ol;propane

C17H34O — CID 144805649

IUPAC4-tert-butyl-1-methyl-2-prop-2-enylcyclohexan-1-ol;propane
SMILESC=CCC1CC(C(C)(C)C)CCC1(C)O.CCC
InChIInChI=1S/C14H26O.C3H8/c1-6-7-12-10-11(13(2,3)4)8-9-14(12,5)15;1-3-2/h6,11-12,15H,1,7-10H2,2-5H3;3H2,1-2H3
InChIKeyXMBXHURWICQSET-UHFFFAOYSA-N
MW254.46 g/mol
LogP5.19
Rot. Bonds2

About 4-tert-butyl-1-methyl-2-prop-2-enylcyclohexan-1-ol;propane

4-tert-butyl-1-methyl-2-prop-2-enylcyclohexan-1-ol;propane (PubChem CID 144805649) has the molecular formula C17H34O and a molecular weight of 254.46 g/mol. Its IUPAC name is 4-tert-butyl-1-methyl-2-prop-2-enylcyclohexan-1-ol;propane.

Molecular Properties

Compound Name4-tert-butyl-1-methyl-2-prop-2-enylcyclohexan-1-ol;propane
PubChem CID144805649
Molecular FormulaC17H34O
Molecular Weight254.46 g/mol
Exact Mass254.26
IUPAC Name4-tert-butyl-1-methyl-2-prop-2-enylcyclohexan-1-ol;propane
SMILESC=CCC1CC(C(C)(C)C)CCC1(C)O.CCC
InChIInChI=1S/C14H26O.C3H8/c1-6-7-12-10-11(13(2,3)4)8-9-14(12,5)15;1-3-2/h6,11-12,15H,1,7-10H2,2-5H3;3H2,1-2H3
InChIKeyXMBXHURWICQSET-UHFFFAOYSA-N
XLogP5.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.46
LogP ≤ 55.19
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,2S,4R)-4-tert-butyl-2-methyl-1-prop-2-enylcyclohexane-1,2-diol
CID 100914447
1-(2-chloropropan-2-yl)-2-prop-2-enylcyclopentan-1-ol
CID 153378510
trans-(1R,2R)-2-tert-butyl-1-methylcyclobutan-1-ol
CID 171582108
4-tert-butyl-1-ethylcyclohexan-1-ol
CID 12709682
cis-(1S,2S)-1,3,3-trimethyl-2-prop-2-enylcyclohexan-1-ol
CID 101364468
2,5,5,8a-tetramethyl-1-prop-2-enyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 14380806
1,1-dimethyl-2-prop-2-enylcyclopropane
CID 534921
4-tert-butyl-1-(1-chloroethenyl)cyclohexan-1-ol
CID 15695896
(2R)-1-methoxy-2-prop-2-enylbicyclo[2.2.2]octane
CID 94035038
cis-(2S,4S)-4-hydroxy-1-methyl-2-prop-2-enylcyclohexane-1-carboxylic acid
CID 67842177
(1S,2S,4S)-4-[(2R)-1,2-dihydroxypropan-2-yl]-1-methylcyclohexane-1,2-diol
CID 101151712
(1R,2R,4S)-4-(1,2-dihydroxypropan-2-yl)-1-methylcyclohexane-1,2-diol
CID 10774556

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-methyl-2-prop-2-enylcyclohexan-1-ol;propane?
The IUPAC name of 4-tert-butyl-1-methyl-2-prop-2-enylcyclohexan-1-ol;propane (CID 144805649) is 4-tert-butyl-1-methyl-2-prop-2-enylcyclohexan-1-ol;propane.
What is the SMILES notation for 4-tert-butyl-1-methyl-2-prop-2-enylcyclohexan-1-ol;propane?
The canonical SMILES for 4-tert-butyl-1-methyl-2-prop-2-enylcyclohexan-1-ol;propane is C=CCC1CC(C(C)(C)C)CCC1(C)O.CCC.
What is the InChIKey of 4-tert-butyl-1-methyl-2-prop-2-enylcyclohexan-1-ol;propane?
The InChIKey is XMBXHURWICQSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O.C3H8/c1-6-7-12-10-11(13(2,3)4)8-9-14(12,5)15;1-3-2/h6,11-12,15H,1,7-10H2,2-5H3;3H2,1-2H3.
What are the key properties of 4-tert-butyl-1-methyl-2-prop-2-enylcyclohexan-1-ol;propane?
4-tert-butyl-1-methyl-2-prop-2-enylcyclohexan-1-ol;propane has a molecular weight of 254.46 g/mol, XLogP of 5.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-methyl-2-prop-2-enylcyclohexan-1-ol;propane is sourced from PubChem (CID 144805649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).