(E)-8-(3-chlorocyclopentyl)oct-7-en-2-ol;ethane;heptane;methane

C23H49ClO — CID 143845918

IUPAC(E)-8-(3-chlorocyclopentyl)oct-7-en-2-ol;ethane;heptane;methane
SMILESC.CC.CC(O)CCCC/C=C/C1CCC(Cl)C1.CCCCCCC
InChIInChI=1S/C13H23ClO.C7H16.C2H6.CH4/c1-11(15)6-4-2-3-5-7-12-8-9-13(14)10-12;1-3-5-7-6-4-2;1-2;/h5,7,11-13,15H,2-4,6,8-10H2,1H3;3-7H2,1-2H3;1-2H3;1H4/b7-5+;;;
InChIKeyFFBIZWKEMIYNLO-OACAQMFHSA-N
MW377.10 g/mol
LogP8.53
Rot. Bonds10

About (E)-8-(3-chlorocyclopentyl)oct-7-en-2-ol;ethane;heptane;methane

(E)-8-(3-chlorocyclopentyl)oct-7-en-2-ol;ethane;heptane;methane (PubChem CID 143845918) has the molecular formula C23H49ClO and a molecular weight of 377.10 g/mol. Its IUPAC name is (E)-8-(3-chlorocyclopentyl)oct-7-en-2-ol;ethane;heptane;methane.

Molecular Properties

Compound Name(E)-8-(3-chlorocyclopentyl)oct-7-en-2-ol;ethane;heptane;methane
PubChem CID143845918
Molecular FormulaC23H49ClO
Molecular Weight377.10 g/mol
Exact Mass376.35
IUPAC Name(E)-8-(3-chlorocyclopentyl)oct-7-en-2-ol;ethane;heptane;methane
SMILESC.CC.CC(O)CCCC/C=C/C1CCC(Cl)C1.CCCCCCC
InChIInChI=1S/C13H23ClO.C7H16.C2H6.CH4/c1-11(15)6-4-2-3-5-7-12-8-9-13(14)10-12;1-3-5-7-6-4-2;1-2;/h5,7,11-13,15H,2-4,6,8-10H2,1H3;3-7H2,1-2H3;1-2H3;1H4/b7-5+;;;
InChIKeyFFBIZWKEMIYNLO-OACAQMFHSA-N
XLogP8.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.10
LogP ≤ 58.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-8-(3-chlorocyclopentyl)oct-7-en-2-ol;ethane;heptane;methane?
The IUPAC name of (E)-8-(3-chlorocyclopentyl)oct-7-en-2-ol;ethane;heptane;methane (CID 143845918) is (E)-8-(3-chlorocyclopentyl)oct-7-en-2-ol;ethane;heptane;methane.
What is the SMILES notation for (E)-8-(3-chlorocyclopentyl)oct-7-en-2-ol;ethane;heptane;methane?
The canonical SMILES for (E)-8-(3-chlorocyclopentyl)oct-7-en-2-ol;ethane;heptane;methane is C.CC.CC(O)CCCC/C=C/C1CCC(Cl)C1.CCCCCCC.
What is the InChIKey of (E)-8-(3-chlorocyclopentyl)oct-7-en-2-ol;ethane;heptane;methane?
The InChIKey is FFBIZWKEMIYNLO-OACAQMFHSA-N. The full InChI is InChI=1S/C13H23ClO.C7H16.C2H6.CH4/c1-11(15)6-4-2-3-5-7-12-8-9-13(14)10-12;1-3-5-7-6-4-2;1-2;/h5,7,11-13,15H,2-4,6,8-10H2,1H3;3-7H2,1-2H3;1-2H3;1H4/b7-5+;;;.
What are the key properties of (E)-8-(3-chlorocyclopentyl)oct-7-en-2-ol;ethane;heptane;methane?
(E)-8-(3-chlorocyclopentyl)oct-7-en-2-ol;ethane;heptane;methane has a molecular weight of 377.10 g/mol, XLogP of 8.53, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8-(3-chlorocyclopentyl)oct-7-en-2-ol;ethane;heptane;methane is sourced from PubChem (CID 143845918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).