7-chloro-1-methoxy-3,7-dimethyloctane

C11H23ClO — CID 88546632

IUPAC7-chloro-1-methoxy-3,7-dimethyloctane
SMILESCOCCC(C)CCCC(C)(C)Cl
InChIInChI=1S/C11H23ClO/c1-10(7-9-13-4)6-5-8-11(2,3)12/h10H,5-9H2,1-4H3
InChIKeyPURABVHNVZOBEH-UHFFFAOYSA-N
MW206.76 g/mol
LogP3.85
Rot. Bonds7

About 7-chloro-1-methoxy-3,7-dimethyloctane

7-chloro-1-methoxy-3,7-dimethyloctane (PubChem CID 88546632) has the molecular formula C11H23ClO and a molecular weight of 206.76 g/mol. Its IUPAC name is 7-chloro-1-methoxy-3,7-dimethyloctane.

Molecular Properties

Compound Name7-chloro-1-methoxy-3,7-dimethyloctane
PubChem CID88546632
Molecular FormulaC11H23ClO
Molecular Weight206.76 g/mol
Exact Mass206.14
IUPAC Name7-chloro-1-methoxy-3,7-dimethyloctane
SMILESCOCCC(C)CCCC(C)(C)Cl
InChIInChI=1S/C11H23ClO/c1-10(7-9-13-4)6-5-8-11(2,3)12/h10H,5-9H2,1-4H3
InChIKeyPURABVHNVZOBEH-UHFFFAOYSA-N
XLogP3.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.76
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Methoxymethyl)cyclododecane
CID 3018712
Pyran, 4-chloro-3-heptyltetrahydro-
CID 141641
1-Methoxy-3,7-dimethyloctane
CID 3022584
4-Chloro-3-n-hexyltetrahydropyran
CID 534582
10-Methyl-1-methoxydodecane
CID 101588543
13-Oxabicyclo[9.3.1]pentadecane, 15-chloro-
CID 534616
4-Chloro-3-n-butyltetrahydropyran
CID 543450
4-Chloro-3-nonyloxane
CID 13087293
2-(2-Chloro-2-methylbutyl)oxane
CID 85950259
1-Methoxy-3-methylnonane
CID 14252374
(2-Chloro-1,3-dimethoxypropan-2-yl)cyclohexane
CID 19985384
1-Methoxy-2,6-dimethyloctane
CID 20148744

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-methoxy-3,7-dimethyloctane?
The IUPAC name of 7-chloro-1-methoxy-3,7-dimethyloctane (CID 88546632) is 7-chloro-1-methoxy-3,7-dimethyloctane.
What is the SMILES notation for 7-chloro-1-methoxy-3,7-dimethyloctane?
The canonical SMILES for 7-chloro-1-methoxy-3,7-dimethyloctane is COCCC(C)CCCC(C)(C)Cl.
What is the InChIKey of 7-chloro-1-methoxy-3,7-dimethyloctane?
The InChIKey is PURABVHNVZOBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23ClO/c1-10(7-9-13-4)6-5-8-11(2,3)12/h10H,5-9H2,1-4H3.
What are the key properties of 7-chloro-1-methoxy-3,7-dimethyloctane?
7-chloro-1-methoxy-3,7-dimethyloctane has a molecular weight of 206.76 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-methoxy-3,7-dimethyloctane is sourced from PubChem (CID 88546632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).