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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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).