1-(3-but-3-enylcyclohex-3-en-1-yl)-2-methylpropan-2-ol

C14H24O — CID 146290263

IUPAC1-(3-but-3-enylcyclohex-3-en-1-yl)-2-methylpropan-2-ol
SMILESC=CCCC1=CCCC(CC(C)(C)O)C1
InChIInChI=1S/C14H24O/c1-4-5-7-12-8-6-9-13(10-12)11-14(2,3)15/h4,8,13,15H,1,5-7,9-11H2,2-3H3
InChIKeyQPGLIEVMFNMBNJ-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.84
Rot. Bonds5

About 1-(3-but-3-enylcyclohex-3-en-1-yl)-2-methylpropan-2-ol

1-(3-but-3-enylcyclohex-3-en-1-yl)-2-methylpropan-2-ol (PubChem CID 146290263) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 1-(3-but-3-enylcyclohex-3-en-1-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(3-but-3-enylcyclohex-3-en-1-yl)-2-methylpropan-2-ol
PubChem CID146290263
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name1-(3-but-3-enylcyclohex-3-en-1-yl)-2-methylpropan-2-ol
SMILESC=CCCC1=CCCC(CC(C)(C)O)C1
InChIInChI=1S/C14H24O/c1-4-5-7-12-8-6-9-13(10-12)11-14(2,3)15/h4,8,13,15H,1,5-7,9-11H2,2-3H3
InChIKeyQPGLIEVMFNMBNJ-UHFFFAOYSA-N
XLogP3.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.84
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 1-(3-but-3-enylcyclohex-3-en-1-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(3-but-3-enylcyclohex-3-en-1-yl)-2-methylpropan-2-ol (CID 146290263) is 1-(3-but-3-enylcyclohex-3-en-1-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(3-but-3-enylcyclohex-3-en-1-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(3-but-3-enylcyclohex-3-en-1-yl)-2-methylpropan-2-ol is C=CCCC1=CCCC(CC(C)(C)O)C1.
What is the InChIKey of 1-(3-but-3-enylcyclohex-3-en-1-yl)-2-methylpropan-2-ol?
The InChIKey is QPGLIEVMFNMBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-4-5-7-12-8-6-9-13(10-12)11-14(2,3)15/h4,8,13,15H,1,5-7,9-11H2,2-3H3.
What are the key properties of 1-(3-but-3-enylcyclohex-3-en-1-yl)-2-methylpropan-2-ol?
1-(3-but-3-enylcyclohex-3-en-1-yl)-2-methylpropan-2-ol has a molecular weight of 208.34 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-but-3-enylcyclohex-3-en-1-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 146290263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).