4-propan-2-ylhepta-1,6-diene

C10H18 — CID 14140894

IUPAC4-propan-2-ylhepta-1,6-diene
SMILESC=CCC(CC=C)C(C)C
InChIInChI=1S/C10H18/c1-5-7-10(8-6-2)9(3)4/h5-6,9-10H,1-2,7-8H2,3-4H3
InChIKeyLXBWVAVDFGZRPU-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.41
Rot. Bonds5

About 4-propan-2-ylhepta-1,6-diene

4-propan-2-ylhepta-1,6-diene (PubChem CID 14140894) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 4-propan-2-ylhepta-1,6-diene.

Molecular Properties

Compound Name4-propan-2-ylhepta-1,6-diene
PubChem CID14140894
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name4-propan-2-ylhepta-1,6-diene
SMILESC=CCC(CC=C)C(C)C
InChIInChI=1S/C10H18/c1-5-7-10(8-6-2)9(3)4/h5-6,9-10H,1-2,7-8H2,3-4H3
InChIKeyLXBWVAVDFGZRPU-UHFFFAOYSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(4R)-4-propan-2-ylocta-1,7-diene
CID 59911119
methane;(4R)-4-propan-2-yloct-1-ene
CID 159803024
4-propan-2-ylnon-1-ene
CID 173177475
N,N-dimethyl-2-propan-2-ylpent-4-en-1-amine
CID 146560715
4,5-diethylhept-1-ene
CID 123746760
N-methyl-N-[(2S)-pentan-2-yl]-2-propan-2-ylpent-4-en-1-amine
CID 177053688
4-iodopent-1-ene
CID 13244562
(4S)-4-iodopent-1-ene
CID 88562936
12-propan-2-yltricosa-1,22-diene
CID 102161324
4-ethyl-5,6-dimethyloct-1-ene
CID 123882592
3-prop-2-enyloctan-2-ol
CID 174661731
5-prop-2-enyl-4-propyldec-1-ene
CID 173236567

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylhepta-1,6-diene?
The IUPAC name of 4-propan-2-ylhepta-1,6-diene (CID 14140894) is 4-propan-2-ylhepta-1,6-diene.
What is the SMILES notation for 4-propan-2-ylhepta-1,6-diene?
The canonical SMILES for 4-propan-2-ylhepta-1,6-diene is C=CCC(CC=C)C(C)C.
What is the InChIKey of 4-propan-2-ylhepta-1,6-diene?
The InChIKey is LXBWVAVDFGZRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-5-7-10(8-6-2)9(3)4/h5-6,9-10H,1-2,7-8H2,3-4H3.
What are the key properties of 4-propan-2-ylhepta-1,6-diene?
4-propan-2-ylhepta-1,6-diene has a molecular weight of 138.25 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylhepta-1,6-diene is sourced from PubChem (CID 14140894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).