4-butan-2-yl-4-propylcycloheptene

C14H26 — CID 91107019

IUPAC4-butan-2-yl-4-propylcycloheptene
SMILESCCCC1(C(C)CC)CC=CCCC1
InChIInChI=1S/C14H26/c1-4-10-14(13(3)5-2)11-8-6-7-9-12-14/h6,8,13H,4-5,7,9-12H2,1-3H3
InChIKeyCVNMFRBVZXSFEI-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.95
Rot. Bonds4

About 4-butan-2-yl-4-propylcycloheptene

4-butan-2-yl-4-propylcycloheptene (PubChem CID 91107019) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 4-butan-2-yl-4-propylcycloheptene.

Molecular Properties

Compound Name4-butan-2-yl-4-propylcycloheptene
PubChem CID91107019
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name4-butan-2-yl-4-propylcycloheptene
SMILESCCCC1(C(C)CC)CC=CCCC1
InChIInChI=1S/C14H26/c1-4-10-14(13(3)5-2)11-8-6-7-9-12-14/h6,8,13H,4-5,7,9-12H2,1-3H3
InChIKeyCVNMFRBVZXSFEI-UHFFFAOYSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.95
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

4-ethyl-4-propan-2-ylcyclohexene
CID 23385010
(3Z)-1-propylcyclooct-3-en-1-ol
CID 11332696
2-(1-butan-2-ylcyclopentyl)acetic acid
CID 83817372
2-(1-butan-2-ylcyclohexyl)acetic acid
CID 83819034
1-pentan-2-yl-1-propylcyclopropane
CID 123606932
1-pentan-2-ylcyclohex-2-en-1-ol
CID 107892794
1-(3-ethyl-4-methylpentan-2-yl)-1-propylcyclopropane
CID 123956694
[1-(3-methylbutan-2-yl)cyclohex-3-en-1-yl]methanamine
CID 130646430
2-butan-2-yl-2-propylpyrrolidine
CID 79443895
1-(3-methylpentan-2-yl)cyclohex-3-en-1-amine
CID 131000668
3,3-dibutylcyclohexene
CID 174543750
1-nonylcyclohex-2-en-1-amine
CID 57359777

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-4-propylcycloheptene?
The IUPAC name of 4-butan-2-yl-4-propylcycloheptene (CID 91107019) is 4-butan-2-yl-4-propylcycloheptene.
What is the SMILES notation for 4-butan-2-yl-4-propylcycloheptene?
The canonical SMILES for 4-butan-2-yl-4-propylcycloheptene is CCCC1(C(C)CC)CC=CCCC1.
What is the InChIKey of 4-butan-2-yl-4-propylcycloheptene?
The InChIKey is CVNMFRBVZXSFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-4-10-14(13(3)5-2)11-8-6-7-9-12-14/h6,8,13H,4-5,7,9-12H2,1-3H3.
What are the key properties of 4-butan-2-yl-4-propylcycloheptene?
4-butan-2-yl-4-propylcycloheptene has a molecular weight of 194.36 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-4-propylcycloheptene is sourced from PubChem (CID 91107019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).