(2Z,5Z)-3,5-dimethyl-4-prop-2-enoxyhepta-2,5-diene

C12H20O — CID 59047496

IUPAC(2Z,5Z)-3,5-dimethyl-4-prop-2-enoxyhepta-2,5-diene
SMILESC=CCOC(/C(C)=C\C)/C(C)=C\C
InChIInChI=1S/C12H20O/c1-6-9-13-12(10(4)7-2)11(5)8-3/h6-8,12H,1,9H2,2-5H3/b10-7-,11-8-
InChIKeyWLEPMYSPTRTDLY-DEFDFUCDSA-N
MW180.29 g/mol
LogP3.49
Rot. Bonds5

About (2Z,5Z)-3,5-dimethyl-4-prop-2-enoxyhepta-2,5-diene

(2Z,5Z)-3,5-dimethyl-4-prop-2-enoxyhepta-2,5-diene (PubChem CID 59047496) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (2Z,5Z)-3,5-dimethyl-4-prop-2-enoxyhepta-2,5-diene.

Molecular Properties

Compound Name(2Z,5Z)-3,5-dimethyl-4-prop-2-enoxyhepta-2,5-diene
PubChem CID59047496
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(2Z,5Z)-3,5-dimethyl-4-prop-2-enoxyhepta-2,5-diene
SMILESC=CCOC(/C(C)=C\C)/C(C)=C\C
InChIInChI=1S/C12H20O/c1-6-9-13-12(10(4)7-2)11(5)8-3/h6-8,12H,1,9H2,2-5H3/b10-7-,11-8-
InChIKeyWLEPMYSPTRTDLY-DEFDFUCDSA-N
XLogP3.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.49
H-Bond Donors ≤ 50
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 (2Z,5Z)-3,5-dimethyl-4-prop-2-enoxyhepta-2,5-diene?
The IUPAC name of (2Z,5Z)-3,5-dimethyl-4-prop-2-enoxyhepta-2,5-diene (CID 59047496) is (2Z,5Z)-3,5-dimethyl-4-prop-2-enoxyhepta-2,5-diene.
What is the SMILES notation for (2Z,5Z)-3,5-dimethyl-4-prop-2-enoxyhepta-2,5-diene?
The canonical SMILES for (2Z,5Z)-3,5-dimethyl-4-prop-2-enoxyhepta-2,5-diene is C=CCOC(/C(C)=C\C)/C(C)=C\C.
What is the InChIKey of (2Z,5Z)-3,5-dimethyl-4-prop-2-enoxyhepta-2,5-diene?
The InChIKey is WLEPMYSPTRTDLY-DEFDFUCDSA-N. The full InChI is InChI=1S/C12H20O/c1-6-9-13-12(10(4)7-2)11(5)8-3/h6-8,12H,1,9H2,2-5H3/b10-7-,11-8-.
What are the key properties of (2Z,5Z)-3,5-dimethyl-4-prop-2-enoxyhepta-2,5-diene?
(2Z,5Z)-3,5-dimethyl-4-prop-2-enoxyhepta-2,5-diene has a molecular weight of 180.29 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-3,5-dimethyl-4-prop-2-enoxyhepta-2,5-diene is sourced from PubChem (CID 59047496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).