1-[(Z)-2-butyloct-1-en-3-ynyl]cyclohexan-1-ol

C18H30O — CID 102281934

IUPAC1-[(Z)-2-butyloct-1-en-3-ynyl]cyclohexan-1-ol
SMILESCCCCC#C/C(=C\C1(O)CCCCC1)CCCC
InChIInChI=1S/C18H30O/c1-3-5-7-9-13-17(12-6-4-2)16-18(19)14-10-8-11-15-18/h16,19H,3-8,10-12,14-15H2,1-2H3/b17-16-
InChIKeySPCVZMJVEVCHOX-MSUUIHNZSA-N
MW262.44 g/mol
LogP4.99
Rot. Bonds6

About 1-[(Z)-2-butyloct-1-en-3-ynyl]cyclohexan-1-ol

1-[(Z)-2-butyloct-1-en-3-ynyl]cyclohexan-1-ol (PubChem CID 102281934) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-[(Z)-2-butyloct-1-en-3-ynyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(Z)-2-butyloct-1-en-3-ynyl]cyclohexan-1-ol
PubChem CID102281934
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name1-[(Z)-2-butyloct-1-en-3-ynyl]cyclohexan-1-ol
SMILESCCCCC#C/C(=C\C1(O)CCCCC1)CCCC
InChIInChI=1S/C18H30O/c1-3-5-7-9-13-17(12-6-4-2)16-18(19)14-10-8-11-15-18/h16,19H,3-8,10-12,14-15H2,1-2H3/b17-16-
InChIKeySPCVZMJVEVCHOX-MSUUIHNZSA-N
XLogP4.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-butyloct-1-en-3-ynyl]cyclohexan-1-ol?
The IUPAC name of 1-[(Z)-2-butyloct-1-en-3-ynyl]cyclohexan-1-ol (CID 102281934) is 1-[(Z)-2-butyloct-1-en-3-ynyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(Z)-2-butyloct-1-en-3-ynyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(Z)-2-butyloct-1-en-3-ynyl]cyclohexan-1-ol is CCCCC#C/C(=C\C1(O)CCCCC1)CCCC.
What is the InChIKey of 1-[(Z)-2-butyloct-1-en-3-ynyl]cyclohexan-1-ol?
The InChIKey is SPCVZMJVEVCHOX-MSUUIHNZSA-N. The full InChI is InChI=1S/C18H30O/c1-3-5-7-9-13-17(12-6-4-2)16-18(19)14-10-8-11-15-18/h16,19H,3-8,10-12,14-15H2,1-2H3/b17-16-.
What are the key properties of 1-[(Z)-2-butyloct-1-en-3-ynyl]cyclohexan-1-ol?
1-[(Z)-2-butyloct-1-en-3-ynyl]cyclohexan-1-ol has a molecular weight of 262.44 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-butyloct-1-en-3-ynyl]cyclohexan-1-ol is sourced from PubChem (CID 102281934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).