1-(3-methoxypropyl)-2-propylcyclohexane

C13H26O — CID 134612935

IUPAC1-(3-methoxypropyl)-2-propylcyclohexane
SMILESCCCC1CCCCC1CCCOC
InChIInChI=1S/C13H26O/c1-3-7-12-8-4-5-9-13(12)10-6-11-14-2/h12-13H,3-11H2,1-2H3
InChIKeyQPTOIQQLKHFGOX-UHFFFAOYSA-N
MW198.35 g/mol
LogP4.02
Rot. Bonds6

About 1-(3-methoxypropyl)-2-propylcyclohexane

1-(3-methoxypropyl)-2-propylcyclohexane (PubChem CID 134612935) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-2-propylcyclohexane.

Molecular Properties

Compound Name1-(3-methoxypropyl)-2-propylcyclohexane
PubChem CID134612935
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name1-(3-methoxypropyl)-2-propylcyclohexane
SMILESCCCC1CCCCC1CCCOC
InChIInChI=1S/C13H26O/c1-3-7-12-8-4-5-9-13(12)10-6-11-14-2/h12-13H,3-11H2,1-2H3
InChIKeyQPTOIQQLKHFGOX-UHFFFAOYSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cis-(1S,2R)-1,2-dipropylcyclohexane
CID 143217114
trans-(1R,2R)-1-butyl-2-propylcyclopentane
CID 14574886
[2-(3-methoxypropyl)cyclobutyl]methanamine
CID 81010610
1-ethoxy-4-[3-(2-propylcyclohexyl)propoxy]benzene
CID 57301084
1-pentyl-2-propylcyclopentane
CID 549948
(1R)-1-ethyl-2-propylcyclohexane
CID 142312859
N-[[2-[3-(2-methoxyethoxy)propyl]cycloheptyl]methyl]ethanamine
CID 103415943
1-[2-[3-(2-methoxyethoxy)propyl]cyclohexyl]-N-methylmethanamine
CID 103415921
2-[3-(2-methoxyethoxy)propyl]cyclohexan-1-amine
CID 103410699
ethane;(2S)-1-ethyl-2-propylcyclohexane
CID 143012565
(1S)-1-(1-methoxy-4-methylheptan-3-yl)-2-propylcyclohexane
CID 146613780
1-ethyl-2-(2-methoxyethyl)cyclopentane
CID 177070820

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-2-propylcyclohexane?
The IUPAC name of 1-(3-methoxypropyl)-2-propylcyclohexane (CID 134612935) is 1-(3-methoxypropyl)-2-propylcyclohexane.
What is the SMILES notation for 1-(3-methoxypropyl)-2-propylcyclohexane?
The canonical SMILES for 1-(3-methoxypropyl)-2-propylcyclohexane is CCCC1CCCCC1CCCOC.
What is the InChIKey of 1-(3-methoxypropyl)-2-propylcyclohexane?
The InChIKey is QPTOIQQLKHFGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-3-7-12-8-4-5-9-13(12)10-6-11-14-2/h12-13H,3-11H2,1-2H3.
What are the key properties of 1-(3-methoxypropyl)-2-propylcyclohexane?
1-(3-methoxypropyl)-2-propylcyclohexane has a molecular weight of 198.35 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-2-propylcyclohexane is sourced from PubChem (CID 134612935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).