(4-methyl-1-propylcyclohexyl) formate

C11H20O2 — CID 130399712

IUPAC(4-methyl-1-propylcyclohexyl) formate
SMILESCCCC1(OC=O)CCC(C)CC1
InChIInChI=1S/C11H20O2/c1-3-6-11(13-9-12)7-4-10(2)5-8-11/h9-10H,3-8H2,1-2H3
InChIKeyVYZKXLSOGIPZSC-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.91
Rot. Bonds4

About (4-methyl-1-propylcyclohexyl) formate

(4-methyl-1-propylcyclohexyl) formate (PubChem CID 130399712) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (4-methyl-1-propylcyclohexyl) formate.

Molecular Properties

Compound Name(4-methyl-1-propylcyclohexyl) formate
PubChem CID130399712
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(4-methyl-1-propylcyclohexyl) formate
SMILESCCCC1(OC=O)CCC(C)CC1
InChIInChI=1S/C11H20O2/c1-3-6-11(13-9-12)7-4-10(2)5-8-11/h9-10H,3-8H2,1-2H3
InChIKeyVYZKXLSOGIPZSC-UHFFFAOYSA-N
XLogP2.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-(4-methyl-1-propylcyclohexyl)oxysilane
CID 70179351
(1-ethoxy-4-methylcyclohexyl)-(4-methylcyclohexyl)methanone
CID 116749474
[1,4-bis(hydroxymethyl)cyclohexyl] formate
CID 140967630
1-hexoxy-1-(iodomethyl)-4-methylcyclohexane
CID 114773514
1-ethenyl-4-methyl-1-propoxycyclohexane
CID 144519084
3-(1,4-dimethylcyclohexyl)propanal
CID 167495572
1,1-dibutyl-4-methylcyclohexane
CID 147112544
N-[[1-(3,5-dimethylcyclohexyl)oxy-4-methylcyclohexyl]methyl]propan-1-amine
CID 64732041
N-[[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine
CID 62110752
[4-methyl-1-(4-methylcyclohexyl)oxycyclohexyl]methanamine
CID 62107560
[1-[4-[4-(5-cyclopropylpentyl)phenyl]butyl]cyclopropyl] formate
CID 172526530
1-methoxy-1-propylcyclobutane
CID 118668756

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1-propylcyclohexyl) formate?
The IUPAC name of (4-methyl-1-propylcyclohexyl) formate (CID 130399712) is (4-methyl-1-propylcyclohexyl) formate.
What is the SMILES notation for (4-methyl-1-propylcyclohexyl) formate?
The canonical SMILES for (4-methyl-1-propylcyclohexyl) formate is CCCC1(OC=O)CCC(C)CC1.
What is the InChIKey of (4-methyl-1-propylcyclohexyl) formate?
The InChIKey is VYZKXLSOGIPZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-6-11(13-9-12)7-4-10(2)5-8-11/h9-10H,3-8H2,1-2H3.
What are the key properties of (4-methyl-1-propylcyclohexyl) formate?
(4-methyl-1-propylcyclohexyl) formate has a molecular weight of 184.28 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1-propylcyclohexyl) formate is sourced from PubChem (CID 130399712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).