1-ethyl-2-methylcyclopentane;1-ethyl-2-methylcyclopropane;hex-3-ene;(E)-4-methyloct-2-ene;3-methylpent-1-ene

C35H70 — CID 160868855

IUPAC1-ethyl-2-methylcyclopentane;1-ethyl-2-methylcyclopropane;hex-3-ene;(E)-4-methyloct-2-ene;3-methylpent-1-ene
SMILESC/C=C/C(C)CCCC.C=CC(C)CC.CCC1CC1C.CCC1CCCC1C.CCC=CCC
InChIInChI=1S/C9H18.C8H16.3C6H12/c1-4-6-8-9(3)7-5-2;1-3-8-6-4-5-7(8)2;1-3-6-4-5(6)2;1-4-6(3)5-2;1-3-5-6-4-2/h5,7,9H,4,6,8H2,1-3H3;7-8H,3-6H2,1-2H3;5-6H,3-4H2,1-2H3;4,6H,1,5H2,2-3H3;5-6H,3-4H2,1-2H3/b7-5+;;;;
InChIKeySLMNWVKRDRBRCU-IGFSWITOSA-N
MW490.95 g/mol
LogP12.85
Rot. Bonds10

About 1-ethyl-2-methylcyclopentane;1-ethyl-2-methylcyclopropane;hex-3-ene;(E)-4-methyloct-2-ene;3-methylpent-1-ene

1-ethyl-2-methylcyclopentane;1-ethyl-2-methylcyclopropane;hex-3-ene;(E)-4-methyloct-2-ene;3-methylpent-1-ene (PubChem CID 160868855) has the molecular formula C35H70 and a molecular weight of 490.95 g/mol. Its IUPAC name is 1-ethyl-2-methylcyclopentane;1-ethyl-2-methylcyclopropane;hex-3-ene;(E)-4-methyloct-2-ene;3-methylpent-1-ene.

Molecular Properties

Compound Name1-ethyl-2-methylcyclopentane;1-ethyl-2-methylcyclopropane;hex-3-ene;(E)-4-methyloct-2-ene;3-methylpent-1-ene
PubChem CID160868855
Molecular FormulaC35H70
Molecular Weight490.95 g/mol
Exact Mass490.55
IUPAC Name1-ethyl-2-methylcyclopentane;1-ethyl-2-methylcyclopropane;hex-3-ene;(E)-4-methyloct-2-ene;3-methylpent-1-ene
SMILESC/C=C/C(C)CCCC.C=CC(C)CC.CCC1CC1C.CCC1CCCC1C.CCC=CCC
InChIInChI=1S/C9H18.C8H16.3C6H12/c1-4-6-8-9(3)7-5-2;1-3-8-6-4-5-7(8)2;1-3-6-4-5(6)2;1-4-6(3)5-2;1-3-5-6-4-2/h5,7,9H,4,6,8H2,1-3H3;7-8H,3-6H2,1-2H3;5-6H,3-4H2,1-2H3;4,6H,1,5H2,2-3H3;5-6H,3-4H2,1-2H3/b7-5+;;;;
InChIKeySLMNWVKRDRBRCU-IGFSWITOSA-N
XLogP12.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.95
LogP ≤ 512.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-ethyl-2-methylcyclopentane;1-ethyl-2-methylcyclopropane;hex-3-ene;(E)-4-methyloct-2-ene;3-methylpent-1-ene with MolForge

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Launch Full Analysis

Related Compounds

4-methyloct-2-ene
CID 528286
methylcyclobutane;(Z)-4-methylhex-2-ene
CID 142208255
(E,5S)-5-methylnon-3-ene
CID 101420891
(E)-4-methylicos-2-ene
CID 166512402
cis-(1S,2S)-1-ethyl-2-methylcyclohexane
CID 23620237
2,3-diethyloxirane;(E)-hex-3-ene;3-methylpent-1-ene
CID 158094227
ethane;trans-(1S,2R)-1-ethyl-2-methylcyclohexane
CID 143479638
1-ethyl-2-methylcyclopropane;2-methylpropane
CID 155747981
[(Z)-4-methylhept-5-enyl]cyclopentane
CID 143369090
[(E)-oct-2-en-4-yl]cyclohexane
CID 134979965
1-methyl-2-(2-methylpropyl)cyclohexane;nonane
CID 142044958
2-ethyl-1-hexan-2-yl-3-methylcyclohexane
CID 123270961

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methylcyclopentane;1-ethyl-2-methylcyclopropane;hex-3-ene;(E)-4-methyloct-2-ene;3-methylpent-1-ene?
The IUPAC name of 1-ethyl-2-methylcyclopentane;1-ethyl-2-methylcyclopropane;hex-3-ene;(E)-4-methyloct-2-ene;3-methylpent-1-ene (CID 160868855) is 1-ethyl-2-methylcyclopentane;1-ethyl-2-methylcyclopropane;hex-3-ene;(E)-4-methyloct-2-ene;3-methylpent-1-ene.
What is the SMILES notation for 1-ethyl-2-methylcyclopentane;1-ethyl-2-methylcyclopropane;hex-3-ene;(E)-4-methyloct-2-ene;3-methylpent-1-ene?
The canonical SMILES for 1-ethyl-2-methylcyclopentane;1-ethyl-2-methylcyclopropane;hex-3-ene;(E)-4-methyloct-2-ene;3-methylpent-1-ene is C/C=C/C(C)CCCC.C=CC(C)CC.CCC1CC1C.CCC1CCCC1C.CCC=CCC.
What is the InChIKey of 1-ethyl-2-methylcyclopentane;1-ethyl-2-methylcyclopropane;hex-3-ene;(E)-4-methyloct-2-ene;3-methylpent-1-ene?
The InChIKey is SLMNWVKRDRBRCU-IGFSWITOSA-N. The full InChI is InChI=1S/C9H18.C8H16.3C6H12/c1-4-6-8-9(3)7-5-2;1-3-8-6-4-5-7(8)2;1-3-6-4-5(6)2;1-4-6(3)5-2;1-3-5-6-4-2/h5,7,9H,4,6,8H2,1-3H3;7-8H,3-6H2,1-2H3;5-6H,3-4H2,1-2H3;4,6H,1,5H2,2-3H3;5-6H,3-4H2,1-2H3/b7-5+;;;;.
What are the key properties of 1-ethyl-2-methylcyclopentane;1-ethyl-2-methylcyclopropane;hex-3-ene;(E)-4-methyloct-2-ene;3-methylpent-1-ene?
1-ethyl-2-methylcyclopentane;1-ethyl-2-methylcyclopropane;hex-3-ene;(E)-4-methyloct-2-ene;3-methylpent-1-ene has a molecular weight of 490.95 g/mol, XLogP of 12.85, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methylcyclopentane;1-ethyl-2-methylcyclopropane;hex-3-ene;(E)-4-methyloct-2-ene;3-methylpent-1-ene is sourced from PubChem (CID 160868855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).