4-propylhepta-2,3-diene

C10H18 — CID 134994886

IUPAC4-propylhepta-2,3-diene
SMILESCC=C=C(CCC)CCC
InChIInChI=1S/C10H18/c1-4-7-10(8-5-2)9-6-3/h4H,5-6,8-9H2,1-3H3
InChIKeyBXKYGXXGCDOCSQ-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.69
Rot. Bonds4

About 4-propylhepta-2,3-diene

4-propylhepta-2,3-diene (PubChem CID 134994886) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 4-propylhepta-2,3-diene.

Molecular Properties

Compound Name4-propylhepta-2,3-diene
PubChem CID134994886
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name4-propylhepta-2,3-diene
SMILESCC=C=C(CCC)CCC
InChIInChI=1S/C10H18/c1-4-7-10(8-5-2)9-6-3/h4H,5-6,8-9H2,1-3H3
InChIKeyBXKYGXXGCDOCSQ-UHFFFAOYSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-ethylhexa-2,3-diene
CID 57110962
4-ethyldeca-2,3-diene
CID 71328652
hex-2-ene-3-thiol
CID 173099237
3-tributylstannylhexa-3,4-dien-1-ol
CID 15122114
(E)-3-propan-2-ylhex-2-ene
CID 142020071
(Z)-3-[(Z)-hex-2-en-3-yl]oxyhex-2-ene
CID 87913404
2-ethylidenepentane-1,1-diol
CID 174458356
4-ethyl-5-methylnona-2,3,5,7-tetraene
CID 173264693
methyl 2-prop-1-enylidenedodecanoate
CID 134983662
butane;but-2-ene;methane
CID 161391432
5-ethyl-4,6-dimethylhepta-2,3-diene
CID 123831861
3,4,5-trimethylocta-2,4-diene
CID 54130832

Frequently Asked Questions

What is the IUPAC name of 4-propylhepta-2,3-diene?
The IUPAC name of 4-propylhepta-2,3-diene (CID 134994886) is 4-propylhepta-2,3-diene.
What is the SMILES notation for 4-propylhepta-2,3-diene?
The canonical SMILES for 4-propylhepta-2,3-diene is CC=C=C(CCC)CCC.
What is the InChIKey of 4-propylhepta-2,3-diene?
The InChIKey is BXKYGXXGCDOCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-4-7-10(8-5-2)9-6-3/h4H,5-6,8-9H2,1-3H3.
What are the key properties of 4-propylhepta-2,3-diene?
4-propylhepta-2,3-diene has a molecular weight of 138.25 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylhepta-2,3-diene is sourced from PubChem (CID 134994886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).