(Z)-8-chloro-1,1-di(propan-2-yloxy)oct-3-ene

C14H27ClO2 — CID 10491763

IUPAC(Z)-8-chloro-1,1-di(propan-2-yloxy)oct-3-ene
SMILESCC(C)OC(C/C=C\CCCCCl)OC(C)C
InChIInChI=1S/C14H27ClO2/c1-12(2)16-14(17-13(3)4)10-8-6-5-7-9-11-15/h6,8,12-14H,5,7,9-11H2,1-4H3/b8-6-
InChIKeyKGAACRREJUUNAE-VURMDHGXSA-N
MW262.82 g/mol
LogP4.52
Rot. Bonds10

About (Z)-8-chloro-1,1-di(propan-2-yloxy)oct-3-ene

(Z)-8-chloro-1,1-di(propan-2-yloxy)oct-3-ene (PubChem CID 10491763) has the molecular formula C14H27ClO2 and a molecular weight of 262.82 g/mol. Its IUPAC name is (Z)-8-chloro-1,1-di(propan-2-yloxy)oct-3-ene.

Molecular Properties

Compound Name(Z)-8-chloro-1,1-di(propan-2-yloxy)oct-3-ene
PubChem CID10491763
Molecular FormulaC14H27ClO2
Molecular Weight262.82 g/mol
Exact Mass262.17
IUPAC Name(Z)-8-chloro-1,1-di(propan-2-yloxy)oct-3-ene
SMILESCC(C)OC(C/C=C\CCCCCl)OC(C)C
InChIInChI=1S/C14H27ClO2/c1-12(2)16-14(17-13(3)4)10-8-6-5-7-9-11-15/h6,8,12-14H,5,7,9-11H2,1-4H3/b8-6-
InChIKeyKGAACRREJUUNAE-VURMDHGXSA-N
XLogP4.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.82
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-8-chloro-1,1-di(propan-2-yloxy)oct-3-ene?
The IUPAC name of (Z)-8-chloro-1,1-di(propan-2-yloxy)oct-3-ene (CID 10491763) is (Z)-8-chloro-1,1-di(propan-2-yloxy)oct-3-ene.
What is the SMILES notation for (Z)-8-chloro-1,1-di(propan-2-yloxy)oct-3-ene?
The canonical SMILES for (Z)-8-chloro-1,1-di(propan-2-yloxy)oct-3-ene is CC(C)OC(C/C=C\CCCCCl)OC(C)C.
What is the InChIKey of (Z)-8-chloro-1,1-di(propan-2-yloxy)oct-3-ene?
The InChIKey is KGAACRREJUUNAE-VURMDHGXSA-N. The full InChI is InChI=1S/C14H27ClO2/c1-12(2)16-14(17-13(3)4)10-8-6-5-7-9-11-15/h6,8,12-14H,5,7,9-11H2,1-4H3/b8-6-.
What are the key properties of (Z)-8-chloro-1,1-di(propan-2-yloxy)oct-3-ene?
(Z)-8-chloro-1,1-di(propan-2-yloxy)oct-3-ene has a molecular weight of 262.82 g/mol, XLogP of 4.52, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-8-chloro-1,1-di(propan-2-yloxy)oct-3-ene is sourced from PubChem (CID 10491763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).