1,2,3-trimethyl-1-pentan-2-yl-2-pent-1-enylcyclopropane

C16H30 — CID 123758050

IUPAC1,2,3-trimethyl-1-pentan-2-yl-2-pent-1-enylcyclopropane
SMILESCCCC=CC1(C)C(C)C1(C)C(C)CCC
InChIInChI=1S/C16H30/c1-7-9-10-12-15(5)14(4)16(15,6)13(3)11-8-2/h10,12-14H,7-9,11H2,1-6H3
InChIKeyNDPYHRGZYJJUSD-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.44
Rot. Bonds6

About 1,2,3-trimethyl-1-pentan-2-yl-2-pent-1-enylcyclopropane

1,2,3-trimethyl-1-pentan-2-yl-2-pent-1-enylcyclopropane (PubChem CID 123758050) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 1,2,3-trimethyl-1-pentan-2-yl-2-pent-1-enylcyclopropane.

Molecular Properties

Compound Name1,2,3-trimethyl-1-pentan-2-yl-2-pent-1-enylcyclopropane
PubChem CID123758050
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name1,2,3-trimethyl-1-pentan-2-yl-2-pent-1-enylcyclopropane
SMILESCCCC=CC1(C)C(C)C1(C)C(C)CCC
InChIInChI=1S/C16H30/c1-7-9-10-12-15(5)14(4)16(15,6)13(3)11-8-2/h10,12-14H,7-9,11H2,1-6H3
InChIKeyNDPYHRGZYJJUSD-UHFFFAOYSA-N
XLogP5.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 55.44
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

N-methyl-1-(1,2,3-trimethyl-2-pentan-2-ylcyclopropyl)methanamine
CID 123713297
(6R)-6-methylnon-4-ene
CID 175484589
1,2-dimethyl-1-pentan-2-ylcyclopropane
CID 91541433
3-ethyl-1-methyl-1-pentan-2-ylcyclobutane
CID 123384644
1-methyl-1-pentan-2-ylcyclopropane
CID 57204658
2-methyl-2-pentan-2-yloxirane
CID 139725922
5-[(E)-pent-1-enyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 6434839
(4E,6E)-2-methyldeca-4,6-diene
CID 102247745
2-butyl-3-[(E)-2-methylhept-3-enyl]oxirane
CID 146188784
(2S)-pentan-2-amine
CID 6997344
2-(3,5-dimethyldec-6-en-2-yl)-1,3-dimethyl-1-(3-methylbutyl)cyclopropane
CID 123194798
1,1,2-trimethyl-2-pentan-2-ylcyclopropane
CID 123201707

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-1-pentan-2-yl-2-pent-1-enylcyclopropane?
The IUPAC name of 1,2,3-trimethyl-1-pentan-2-yl-2-pent-1-enylcyclopropane (CID 123758050) is 1,2,3-trimethyl-1-pentan-2-yl-2-pent-1-enylcyclopropane.
What is the SMILES notation for 1,2,3-trimethyl-1-pentan-2-yl-2-pent-1-enylcyclopropane?
The canonical SMILES for 1,2,3-trimethyl-1-pentan-2-yl-2-pent-1-enylcyclopropane is CCCC=CC1(C)C(C)C1(C)C(C)CCC.
What is the InChIKey of 1,2,3-trimethyl-1-pentan-2-yl-2-pent-1-enylcyclopropane?
The InChIKey is NDPYHRGZYJJUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-7-9-10-12-15(5)14(4)16(15,6)13(3)11-8-2/h10,12-14H,7-9,11H2,1-6H3.
What are the key properties of 1,2,3-trimethyl-1-pentan-2-yl-2-pent-1-enylcyclopropane?
1,2,3-trimethyl-1-pentan-2-yl-2-pent-1-enylcyclopropane has a molecular weight of 222.42 g/mol, XLogP of 5.44, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-1-pentan-2-yl-2-pent-1-enylcyclopropane is sourced from PubChem (CID 123758050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).