formic acid;1-methyl-4-pentan-3-ylcyclohexane

C13H26O2 — CID 144502603

IUPACformic acid;1-methyl-4-pentan-3-ylcyclohexane
SMILESCCC(CC)C1CCC(C)CC1.O=CO
InChIInChI=1S/C12H24.CH2O2/c1-4-11(5-2)12-8-6-10(3)7-9-12;2-1-3/h10-12H,4-9H2,1-3H3;1H,(H,2,3)
InChIKeyCXFDDCSMZJOKEA-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.95
Rot. Bonds3

About formic acid;1-methyl-4-pentan-3-ylcyclohexane

formic acid;1-methyl-4-pentan-3-ylcyclohexane (PubChem CID 144502603) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is formic acid;1-methyl-4-pentan-3-ylcyclohexane.

Molecular Properties

Compound Nameformic acid;1-methyl-4-pentan-3-ylcyclohexane
PubChem CID144502603
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Nameformic acid;1-methyl-4-pentan-3-ylcyclohexane
SMILESCCC(CC)C1CCC(C)CC1.O=CO
InChIInChI=1S/C12H24.CH2O2/c1-4-11(5-2)12-8-6-10(3)7-9-12;2-1-3/h10-12H,4-9H2,1-3H3;1H,(H,2,3)
InChIKeyCXFDDCSMZJOKEA-UHFFFAOYSA-N
XLogP3.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

pentan-3-ylcyclopropane
CID 19042038
1-hexan-3-yl-4-methylcyclohexane;propane
CID 143181984
1-methyl-5-pentan-3-ylcyclooctane
CID 161233743
1-methyl-4-(6-methyloct-7-en-3-yl)cyclohexane
CID 123270008
(5R)-5-(4-methylcyclohexyl)octanal
CID 118900354
1-methyl-4-[1-(4-methylcyclohexyl)propyl]cyclohexane
CID 142348869
butane;ethane;methane;1-methyl-4-(6-methyl-5-methylideneheptan-3-yl)cyclohexane
CID 142573663
1-butan-2-yl-4-methylcyclohexane
CID 20676481
(2S)-1-(4-methylcyclohexyl)butan-2-ol
CID 67556364
3-(4-methylcyclohexyl)pentan-2-ol
CID 79422150
3-(4-methylcyclohexyl)butanal
CID 21290463
1-(4-methylcyclohexyl)-2-(thian-4-yl)ethanol
CID 105102503

Frequently Asked Questions

What is the IUPAC name of formic acid;1-methyl-4-pentan-3-ylcyclohexane?
The IUPAC name of formic acid;1-methyl-4-pentan-3-ylcyclohexane (CID 144502603) is formic acid;1-methyl-4-pentan-3-ylcyclohexane.
What is the SMILES notation for formic acid;1-methyl-4-pentan-3-ylcyclohexane?
The canonical SMILES for formic acid;1-methyl-4-pentan-3-ylcyclohexane is CCC(CC)C1CCC(C)CC1.O=CO.
What is the InChIKey of formic acid;1-methyl-4-pentan-3-ylcyclohexane?
The InChIKey is CXFDDCSMZJOKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24.CH2O2/c1-4-11(5-2)12-8-6-10(3)7-9-12;2-1-3/h10-12H,4-9H2,1-3H3;1H,(H,2,3).
What are the key properties of formic acid;1-methyl-4-pentan-3-ylcyclohexane?
formic acid;1-methyl-4-pentan-3-ylcyclohexane has a molecular weight of 214.35 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;1-methyl-4-pentan-3-ylcyclohexane is sourced from PubChem (CID 144502603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).