1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane

C16H28 — CID 20594849

IUPAC1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
SMILESC/C=C/C1CCC(C2CCC(C)CC2)CC1
InChIInChI=1S/C16H28/c1-3-4-14-7-11-16(12-8-14)15-9-5-13(2)6-10-15/h3-4,13-16H,5-12H2,1-2H3/b4-3+
InChIKeyKNNWENQALDQCQE-ONEGZZNKSA-N
MW220.40 g/mol
LogP5.20
Rot. Bonds2

About 1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane

1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane (PubChem CID 20594849) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is 1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
PubChem CID20594849
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
SMILESC/C=C/C1CCC(C2CCC(C)CC2)CC1
InChIInChI=1S/C16H28/c1-3-4-14-7-11-16(12-8-14)15-9-5-13(2)6-10-15/h3-4,13-16H,5-12H2,1-2H3/b4-3+
InChIKeyKNNWENQALDQCQE-ONEGZZNKSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.20
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

2-Menthene
CID 517974
(3S,6R)-3-Isopropyl-6-methylcyclohexene
CID 6431933
(trans,trans)-4-Ethenyl-4'-propyl-1,1'-bicyclohexyl
CID 12097469
(trans,trans)-4-Pentyl-4'-vinyl-1,1'-bi(cyclohexane)
CID 19937987
2,4b-Dimethyl-8-methylene-2-vinyl-1,2,3,4,4a,4b,5,6,7,8,8a,9-dodecahydrophenanthrene
CID 560947
3-(2-Methylpropyl)cyclohex-1-ene
CID 20057
Cyclohexene, 3-hexyl-
CID 139914
1,1'-Bi(cyclohex-2-ene)
CID 519114
3-(1-Methylethyl)cyclohexene
CID 520966
Pen3bcH
CID 13651658
(trans,trans)-4-((E)-Prop-1-en-1-yl)-4'-vinyl-1,1'-bi(cyclohexane)
CID 18341917
bVbcH
CID 18341918

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane?
The IUPAC name of 1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane (CID 20594849) is 1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane.
What is the SMILES notation for 1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane?
The canonical SMILES for 1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane is C/C=C/C1CCC(C2CCC(C)CC2)CC1.
What is the InChIKey of 1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane?
The InChIKey is KNNWENQALDQCQE-ONEGZZNKSA-N. The full InChI is InChI=1S/C16H28/c1-3-4-14-7-11-16(12-8-14)15-9-5-13(2)6-10-15/h3-4,13-16H,5-12H2,1-2H3/b4-3+.
What are the key properties of 1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane?
1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane has a molecular weight of 220.40 g/mol, XLogP of 5.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane is sourced from PubChem (CID 20594849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).