(3S)-3-chloro-1-methoxyheptane

C8H17ClO — CID 129365628

IUPAC(3S)-3-chloro-1-methoxyheptane
SMILESCCCC[C@H](Cl)CCOC
InChIInChI=1S/C8H17ClO/c1-3-4-5-8(9)6-7-10-2/h8H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyUUCLPYJVAQFSGU-QMMMGPOBSA-N
MW164.68 g/mol
LogP2.82
Rot. Bonds6

About (3S)-3-chloro-1-methoxyheptane

(3S)-3-chloro-1-methoxyheptane (PubChem CID 129365628) has the molecular formula C8H17ClO and a molecular weight of 164.68 g/mol. Its IUPAC name is (3S)-3-chloro-1-methoxyheptane.

Molecular Properties

Compound Name(3S)-3-chloro-1-methoxyheptane
PubChem CID129365628
Molecular FormulaC8H17ClO
Molecular Weight164.68 g/mol
Exact Mass164.10
IUPAC Name(3S)-3-chloro-1-methoxyheptane
SMILESCCCC[C@H](Cl)CCOC
InChIInChI=1S/C8H17ClO/c1-3-4-5-8(9)6-7-10-2/h8H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyUUCLPYJVAQFSGU-QMMMGPOBSA-N
XLogP2.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.68
LogP ≤ 52.82
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

2-chloro-1-methoxyhexane
CID 13146998
5-chlorononane;phosphoric acid
CID 88768187
1-chloro-1-(2-methoxyethoxy)pentane
CID 175041479
17-chlorotritriacontane
CID 87852962
tributyl(2-methoxyethyl)phosphanium
CID 25047739
1,5-dichlorononane
CID 57182000
1,2-dichloro-5-methoxypentane
CID 119097663
4-chloropentadecane
CID 63459834
4-chlorotridecane
CID 63460920
4-chlorooctylphosphonic acid
CID 87857502
7-chloro-1-iodoundecane
CID 122491544
6-chloro-1-fluorodecane
CID 175363910

Frequently Asked Questions

What is the IUPAC name of (3S)-3-chloro-1-methoxyheptane?
The IUPAC name of (3S)-3-chloro-1-methoxyheptane (CID 129365628) is (3S)-3-chloro-1-methoxyheptane.
What is the SMILES notation for (3S)-3-chloro-1-methoxyheptane?
The canonical SMILES for (3S)-3-chloro-1-methoxyheptane is CCCC[C@H](Cl)CCOC.
What is the InChIKey of (3S)-3-chloro-1-methoxyheptane?
The InChIKey is UUCLPYJVAQFSGU-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H17ClO/c1-3-4-5-8(9)6-7-10-2/h8H,3-7H2,1-2H3/t8-/m0/s1.
What are the key properties of (3S)-3-chloro-1-methoxyheptane?
(3S)-3-chloro-1-methoxyheptane has a molecular weight of 164.68 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-chloro-1-methoxyheptane is sourced from PubChem (CID 129365628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).