(3E,4E)-3-ethylidene-4-methylhepta-1,4-diene

C10H16 — CID 143688525

IUPAC(3E,4E)-3-ethylidene-4-methylhepta-1,4-diene
SMILESC=CC(=C\C)/C(C)=C/CC
InChIInChI=1S/C10H16/c1-5-8-9(4)10(6-2)7-3/h6-8H,2,5H2,1,3-4H3/b9-8+,10-7+
InChIKeyGJDPPTPNVMPTEE-DGLUDJRXSA-N
MW136.24 g/mol
LogP3.47
Rot. Bonds3

About (3E,4E)-3-ethylidene-4-methylhepta-1,4-diene

(3E,4E)-3-ethylidene-4-methylhepta-1,4-diene (PubChem CID 143688525) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is (3E,4E)-3-ethylidene-4-methylhepta-1,4-diene.

Molecular Properties

Compound Name(3E,4E)-3-ethylidene-4-methylhepta-1,4-diene
PubChem CID143688525
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name(3E,4E)-3-ethylidene-4-methylhepta-1,4-diene
SMILESC=CC(=C\C)/C(C)=C/CC
InChIInChI=1S/C10H16/c1-5-8-9(4)10(6-2)7-3/h6-8H,2,5H2,1,3-4H3/b9-8+,10-7+
InChIKeyGJDPPTPNVMPTEE-DGLUDJRXSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-ethylidene-5-methylocta-2,5-diene
CID 123325862
(3E,4E)-3-ethylidene-4-methylhexa-1,4-diene;N-ethylmethanimine
CID 170733911
5-ethenyl-6-methylnona-4,6-dien-1-imine
CID 123911994
(4Z)-4-ethenyl-3-propan-2-ylidenehepta-1,4-diene
CID 145153838
3-penta-1,3-dien-3-ylhexa-1,3-dien-1-one
CID 141087599
ethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene
CID 143132046
ethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene
CID 142009215
(3Z,5Z)-3-chloro-4-fluoro-5-methylocta-1,3,5-triene
CID 134389909
2-methylbuta-1,3-diene;2-methylbut-1-ene
CID 160626231
2-methylbuta-1,3-diene;(3E)-3-methylhexa-1,3-diene
CID 173395749
(2E,4Z)-3-chloro-4-methylhepta-2,4-diene
CID 134365693
butane;(2E,4Z)-4-ethenyl-3-methylsulfanylhepta-2,4-diene
CID 145365968

Frequently Asked Questions

What is the IUPAC name of (3E,4E)-3-ethylidene-4-methylhepta-1,4-diene?
The IUPAC name of (3E,4E)-3-ethylidene-4-methylhepta-1,4-diene (CID 143688525) is (3E,4E)-3-ethylidene-4-methylhepta-1,4-diene.
What is the SMILES notation for (3E,4E)-3-ethylidene-4-methylhepta-1,4-diene?
The canonical SMILES for (3E,4E)-3-ethylidene-4-methylhepta-1,4-diene is C=CC(=C\C)/C(C)=C/CC.
What is the InChIKey of (3E,4E)-3-ethylidene-4-methylhepta-1,4-diene?
The InChIKey is GJDPPTPNVMPTEE-DGLUDJRXSA-N. The full InChI is InChI=1S/C10H16/c1-5-8-9(4)10(6-2)7-3/h6-8H,2,5H2,1,3-4H3/b9-8+,10-7+.
What are the key properties of (3E,4E)-3-ethylidene-4-methylhepta-1,4-diene?
(3E,4E)-3-ethylidene-4-methylhepta-1,4-diene has a molecular weight of 136.24 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4E)-3-ethylidene-4-methylhepta-1,4-diene is sourced from PubChem (CID 143688525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).