2-butan-2-yl-1-but-3-en-2-yl-5-methylcyclohexan-1-ol

C15H28O — CID 142319676

IUPAC2-butan-2-yl-1-but-3-en-2-yl-5-methylcyclohexan-1-ol
SMILESC=CC(C)C1(O)CC(C)CCC1C(C)CC
InChIInChI=1S/C15H28O/c1-6-12(4)14-9-8-11(3)10-15(14,16)13(5)7-2/h7,11-14,16H,2,6,8-10H2,1,3-5H3
InChIKeyMERWXVQKMSCFFE-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.02
Rot. Bonds4

About 2-butan-2-yl-1-but-3-en-2-yl-5-methylcyclohexan-1-ol

2-butan-2-yl-1-but-3-en-2-yl-5-methylcyclohexan-1-ol (PubChem CID 142319676) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 2-butan-2-yl-1-but-3-en-2-yl-5-methylcyclohexan-1-ol.

Molecular Properties

Compound Name2-butan-2-yl-1-but-3-en-2-yl-5-methylcyclohexan-1-ol
PubChem CID142319676
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name2-butan-2-yl-1-but-3-en-2-yl-5-methylcyclohexan-1-ol
SMILESC=CC(C)C1(O)CC(C)CCC1C(C)CC
InChIInChI=1S/C15H28O/c1-6-12(4)14-9-8-11(3)10-15(14,16)13(5)7-2/h7,11-14,16H,2,6,8-10H2,1,3-5H3
InChIKeyMERWXVQKMSCFFE-UHFFFAOYSA-N
XLogP4.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.02
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-but-3-en-2-yl-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 72951939
(1S,2S,5R)-5-methyl-2-propan-2-yl-1-prop-2-enylcyclohexan-1-ol
CID 11401335
cis-(2S,5R)-1-[(3Z)-5-hydroxypenta-1,3-dien-3-yl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 101266253
1-(hydroxymethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 19844421
2-butan-2-yl-1-methyl-1-(2-methylbut-3-en-2-yl)cyclopropane
CID 123282497
[1-(butan-2-ylamino)-5-methyl-2-propan-2-ylcyclohexyl]methanol
CID 61048406
N-ethyl-1-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 163406245
2-[(1R,2S,5R)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexyl]acetonitrile
CID 11321509
1-butan-2-yl-4-methylcyclohexane
CID 20676481
1-methyl-4-(6-methyloct-7-en-3-yl)cyclohexane
CID 123270008
1-[1-(2-hydroxy-4-methylcyclohexyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 118516265
1-but-3-en-2-yl-4-butylcyclohexane-1-carboxylic acid
CID 79425782

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-1-but-3-en-2-yl-5-methylcyclohexan-1-ol?
The IUPAC name of 2-butan-2-yl-1-but-3-en-2-yl-5-methylcyclohexan-1-ol (CID 142319676) is 2-butan-2-yl-1-but-3-en-2-yl-5-methylcyclohexan-1-ol.
What is the SMILES notation for 2-butan-2-yl-1-but-3-en-2-yl-5-methylcyclohexan-1-ol?
The canonical SMILES for 2-butan-2-yl-1-but-3-en-2-yl-5-methylcyclohexan-1-ol is C=CC(C)C1(O)CC(C)CCC1C(C)CC.
What is the InChIKey of 2-butan-2-yl-1-but-3-en-2-yl-5-methylcyclohexan-1-ol?
The InChIKey is MERWXVQKMSCFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-6-12(4)14-9-8-11(3)10-15(14,16)13(5)7-2/h7,11-14,16H,2,6,8-10H2,1,3-5H3.
What are the key properties of 2-butan-2-yl-1-but-3-en-2-yl-5-methylcyclohexan-1-ol?
2-butan-2-yl-1-but-3-en-2-yl-5-methylcyclohexan-1-ol has a molecular weight of 224.39 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-1-but-3-en-2-yl-5-methylcyclohexan-1-ol is sourced from PubChem (CID 142319676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).