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

C12H20O — CID 10954135

IUPAC(2E,5E)-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-AMMQDNIMSA-N
MW180.29 g/mol
LogP3.49
Rot. Bonds5

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

(2E,5E)-3,5-dimethyl-4-prop-2-enoxyhepta-2,5-diene (PubChem CID 10954135) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (2E,5E)-3,5-dimethyl-4-prop-2-enoxyhepta-2,5-diene.

Molecular Properties

Compound Name(2E,5E)-3,5-dimethyl-4-prop-2-enoxyhepta-2,5-diene
PubChem CID10954135
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(2E,5E)-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-AMMQDNIMSA-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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Related Compounds

(E)-2-prop-2-enoxybut-2-ene
CID 102099599
[(2E,5E)-3,5-dimethylhepta-2,5-dien-4-yl]oxy-dimethyl-prop-2-enylsilane
CID 11543224
(E)-3,4-dimethylpent-2-ene;ethene;propane
CID 178040270
hydroxy-methyl-bis(prop-2-enoxy)phosphanium
CID 174720559
(Z)-3,4-dimethylpent-2-ene;ethane
CID 143977238
3-[fluoro(methoxy)methoxy]prop-1-ene
CID 174814514
(5Z)-5-methylhepta-1,5-dien-4-amine
CID 143795621
(E)-2-prop-2-enoxyhex-4-en-3-ol
CID 89174022
1-prop-2-enoxypropyl acetate
CID 142726831
(2-methyl-1-prop-2-enoxyprop-2-enyl)benzene
CID 15361416
(4R,5Z)-5-methyl-4-propan-2-ylhepta-1,5-diene
CID 59911407
2,5-bis(prop-2-enoxy)hex-3-yne
CID 54201306

Frequently Asked Questions

What is the IUPAC name of (2E,5E)-3,5-dimethyl-4-prop-2-enoxyhepta-2,5-diene?
The IUPAC name of (2E,5E)-3,5-dimethyl-4-prop-2-enoxyhepta-2,5-diene (CID 10954135) is (2E,5E)-3,5-dimethyl-4-prop-2-enoxyhepta-2,5-diene.
What is the SMILES notation for (2E,5E)-3,5-dimethyl-4-prop-2-enoxyhepta-2,5-diene?
The canonical SMILES for (2E,5E)-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 (2E,5E)-3,5-dimethyl-4-prop-2-enoxyhepta-2,5-diene?
The InChIKey is WLEPMYSPTRTDLY-AMMQDNIMSA-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 (2E,5E)-3,5-dimethyl-4-prop-2-enoxyhepta-2,5-diene?
(2E,5E)-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 (2E,5E)-3,5-dimethyl-4-prop-2-enoxyhepta-2,5-diene is sourced from PubChem (CID 10954135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).