1,1-dicyclohexylbut-3-en-1-ol

C16H28O — CID 20571540

IUPAC1,1-dicyclohexylbut-3-en-1-ol
SMILESC=CCC(O)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H28O/c1-2-13-16(17,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h2,14-15,17H,1,3-13H2
InChIKeyFAVDKPTWUAMKMK-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.45
Rot. Bonds4

About 1,1-dicyclohexylbut-3-en-1-ol

1,1-dicyclohexylbut-3-en-1-ol (PubChem CID 20571540) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is 1,1-dicyclohexylbut-3-en-1-ol.

Molecular Properties

Compound Name1,1-dicyclohexylbut-3-en-1-ol
PubChem CID20571540
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name1,1-dicyclohexylbut-3-en-1-ol
SMILESC=CCC(O)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H28O/c1-2-13-16(17,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h2,14-15,17H,1,3-13H2
InChIKeyFAVDKPTWUAMKMK-UHFFFAOYSA-N
XLogP4.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.45
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 1,1-dicyclohexylbut-3-en-1-ol?
The IUPAC name of 1,1-dicyclohexylbut-3-en-1-ol (CID 20571540) is 1,1-dicyclohexylbut-3-en-1-ol.
What is the SMILES notation for 1,1-dicyclohexylbut-3-en-1-ol?
The canonical SMILES for 1,1-dicyclohexylbut-3-en-1-ol is C=CCC(O)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 1,1-dicyclohexylbut-3-en-1-ol?
The InChIKey is FAVDKPTWUAMKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O/c1-2-13-16(17,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h2,14-15,17H,1,3-13H2.
What are the key properties of 1,1-dicyclohexylbut-3-en-1-ol?
1,1-dicyclohexylbut-3-en-1-ol has a molecular weight of 236.40 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dicyclohexylbut-3-en-1-ol is sourced from PubChem (CID 20571540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).