(3Z)-3-chloro-2-methoxy-7-methylocta-1,3-diene

C10H17ClO — CID 102247674

IUPAC(3Z)-3-chloro-2-methoxy-7-methylocta-1,3-diene
SMILESC=C(OC)/C(Cl)=C/CCC(C)C
InChIInChI=1S/C10H17ClO/c1-8(2)6-5-7-10(11)9(3)12-4/h7-8H,3,5-6H2,1-2,4H3/b10-7-
InChIKeyPONVNQCVUVJKBV-YFHOEESVSA-N
MW188.70 g/mol
LogP3.71
Rot. Bonds5

About (3Z)-3-chloro-2-methoxy-7-methylocta-1,3-diene

(3Z)-3-chloro-2-methoxy-7-methylocta-1,3-diene (PubChem CID 102247674) has the molecular formula C10H17ClO and a molecular weight of 188.70 g/mol. Its IUPAC name is (3Z)-3-chloro-2-methoxy-7-methylocta-1,3-diene.

Molecular Properties

Compound Name(3Z)-3-chloro-2-methoxy-7-methylocta-1,3-diene
PubChem CID102247674
Molecular FormulaC10H17ClO
Molecular Weight188.70 g/mol
Exact Mass188.10
IUPAC Name(3Z)-3-chloro-2-methoxy-7-methylocta-1,3-diene
SMILESC=C(OC)/C(Cl)=C/CCC(C)C
InChIInChI=1S/C10H17ClO/c1-8(2)6-5-7-10(11)9(3)12-4/h7-8H,3,5-6H2,1-2,4H3/b10-7-
InChIKeyPONVNQCVUVJKBV-YFHOEESVSA-N
XLogP3.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.70
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-chloro-2-methoxy-7-methylocta-1,3-diene?
The IUPAC name of (3Z)-3-chloro-2-methoxy-7-methylocta-1,3-diene (CID 102247674) is (3Z)-3-chloro-2-methoxy-7-methylocta-1,3-diene.
What is the SMILES notation for (3Z)-3-chloro-2-methoxy-7-methylocta-1,3-diene?
The canonical SMILES for (3Z)-3-chloro-2-methoxy-7-methylocta-1,3-diene is C=C(OC)/C(Cl)=C/CCC(C)C.
What is the InChIKey of (3Z)-3-chloro-2-methoxy-7-methylocta-1,3-diene?
The InChIKey is PONVNQCVUVJKBV-YFHOEESVSA-N. The full InChI is InChI=1S/C10H17ClO/c1-8(2)6-5-7-10(11)9(3)12-4/h7-8H,3,5-6H2,1-2,4H3/b10-7-.
What are the key properties of (3Z)-3-chloro-2-methoxy-7-methylocta-1,3-diene?
(3Z)-3-chloro-2-methoxy-7-methylocta-1,3-diene has a molecular weight of 188.70 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-chloro-2-methoxy-7-methylocta-1,3-diene is sourced from PubChem (CID 102247674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).