1-[(3Z,5Z)-hepta-3,5-dien-1-yn-3-yl]-2-propylcyclopropane

C13H18 — CID 143338715

IUPAC1-[(3Z,5Z)-hepta-3,5-dien-1-yn-3-yl]-2-propylcyclopropane
SMILESC#C/C(=C\C=C/C)C1CC1CCC
InChIInChI=1S/C13H18/c1-4-7-9-11(6-3)13-10-12(13)8-5-2/h3-4,7,9,12-13H,5,8,10H2,1-2H3/b7-4-,11-9+
InChIKeyYELZROYLVXPCDN-RGSRAZRCSA-N
MW174.29 g/mol
LogP3.56
Rot. Bonds4

About 1-[(3Z,5Z)-hepta-3,5-dien-1-yn-3-yl]-2-propylcyclopropane

1-[(3Z,5Z)-hepta-3,5-dien-1-yn-3-yl]-2-propylcyclopropane (PubChem CID 143338715) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 1-[(3Z,5Z)-hepta-3,5-dien-1-yn-3-yl]-2-propylcyclopropane.

Molecular Properties

Compound Name1-[(3Z,5Z)-hepta-3,5-dien-1-yn-3-yl]-2-propylcyclopropane
PubChem CID143338715
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name1-[(3Z,5Z)-hepta-3,5-dien-1-yn-3-yl]-2-propylcyclopropane
SMILESC#C/C(=C\C=C/C)C1CC1CCC
InChIInChI=1S/C13H18/c1-4-7-9-11(6-3)13-10-12(13)8-5-2/h3-4,7,9,12-13H,5,8,10H2,1-2H3/b7-4-,11-9+
InChIKeyYELZROYLVXPCDN-RGSRAZRCSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-but-1-en-2-yl-2-propylcyclopropane
CID 123489914
2-chloro-1-[(1R,2R)-2-propylcyclopropyl]ethanone
CID 154814213
4,5-dipropylcyclohexane-1,2-dicarboxylic acid
CID 58183345
cis-ethyl (1R,2R)-2-propylcyclopropane-1-carboxylate
CID 45090224
(3Z,5Z)-hepta-3,5-dien-1-yn-3-amine
CID 145347359
acetylene;1-methyl-2-propylcyclopropane;propane
CID 173373842
ethane;1-methyl-2-propylcyclopropane
CID 144710386
(5E,7Z)-5-methyl-4-propylnona-5,7-dien-4-ol
CID 143524444
2-[(Z)-hex-3-enyl]cyclopropane-1-carboxylic acid
CID 67318470
4-ethyl-1-(2-methylbut-2-enyl)-2-propylcyclopentane
CID 123240051
1-but-1-en-3-yn-2-yl-4-[(2Z,4E,6E,8Z)-4-ethylidene-6-methyldeca-2,6,8-trien-5-yl]piperazine
CID 144819208
2-methyl-4-propylcyclobutan-1-ol
CID 91553284

Frequently Asked Questions

What is the IUPAC name of 1-[(3Z,5Z)-hepta-3,5-dien-1-yn-3-yl]-2-propylcyclopropane?
The IUPAC name of 1-[(3Z,5Z)-hepta-3,5-dien-1-yn-3-yl]-2-propylcyclopropane (CID 143338715) is 1-[(3Z,5Z)-hepta-3,5-dien-1-yn-3-yl]-2-propylcyclopropane.
What is the SMILES notation for 1-[(3Z,5Z)-hepta-3,5-dien-1-yn-3-yl]-2-propylcyclopropane?
The canonical SMILES for 1-[(3Z,5Z)-hepta-3,5-dien-1-yn-3-yl]-2-propylcyclopropane is C#C/C(=C\C=C/C)C1CC1CCC.
What is the InChIKey of 1-[(3Z,5Z)-hepta-3,5-dien-1-yn-3-yl]-2-propylcyclopropane?
The InChIKey is YELZROYLVXPCDN-RGSRAZRCSA-N. The full InChI is InChI=1S/C13H18/c1-4-7-9-11(6-3)13-10-12(13)8-5-2/h3-4,7,9,12-13H,5,8,10H2,1-2H3/b7-4-,11-9+.
What are the key properties of 1-[(3Z,5Z)-hepta-3,5-dien-1-yn-3-yl]-2-propylcyclopropane?
1-[(3Z,5Z)-hepta-3,5-dien-1-yn-3-yl]-2-propylcyclopropane has a molecular weight of 174.29 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z,5Z)-hepta-3,5-dien-1-yn-3-yl]-2-propylcyclopropane is sourced from PubChem (CID 143338715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).