2-chloro-4-methyloct-1-en-3-ol

C9H17ClO — CID 54546510

IUPAC2-chloro-4-methyloct-1-en-3-ol
SMILESC=C(Cl)C(O)C(C)CCCC
InChIInChI=1S/C9H17ClO/c1-4-5-6-7(2)9(11)8(3)10/h7,9,11H,3-6H2,1-2H3
InChIKeyXTIIZAWQANIPSL-UHFFFAOYSA-N
MW176.69 g/mol
LogP2.93
Rot. Bonds5

About 2-chloro-4-methyloct-1-en-3-ol

2-chloro-4-methyloct-1-en-3-ol (PubChem CID 54546510) has the molecular formula C9H17ClO and a molecular weight of 176.69 g/mol. Its IUPAC name is 2-chloro-4-methyloct-1-en-3-ol.

Molecular Properties

Compound Name2-chloro-4-methyloct-1-en-3-ol
PubChem CID54546510
Molecular FormulaC9H17ClO
Molecular Weight176.69 g/mol
Exact Mass176.10
IUPAC Name2-chloro-4-methyloct-1-en-3-ol
SMILESC=C(Cl)C(O)C(C)CCCC
InChIInChI=1S/C9H17ClO/c1-4-5-6-7(2)9(11)8(3)10/h7,9,11H,3-6H2,1-2H3
InChIKeyXTIIZAWQANIPSL-UHFFFAOYSA-N
XLogP2.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.69
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 173461332
butane;ethane;3-methylheptan-2-ol
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1-fluoro-3-methylheptan-2-ol
CID 122599053
3-methyl-N-prop-1-en-2-ylheptan-2-amine
CID 174298907
5,6,14,15-tetramethylnonadecane
CID 123473711
(2R)-2-hydroxy-3-methylundecanoic acid
CID 175805023
(2S,3R,7R)-3,7-dimethylundecan-2-ol
CID 15548643
alumane;2,3-dimethylheptane
CID 174508099
hexan-2-ol;zirconium
CID 174835617
2,3-dimethylheptane;ethane
CID 156648444
(3R)-2,3-dimethylheptane;ethane
CID 163241846
N-(2-chloroprop-2-enyl)hexan-2-amine
CID 62198931

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyloct-1-en-3-ol?
The IUPAC name of 2-chloro-4-methyloct-1-en-3-ol (CID 54546510) is 2-chloro-4-methyloct-1-en-3-ol.
What is the SMILES notation for 2-chloro-4-methyloct-1-en-3-ol?
The canonical SMILES for 2-chloro-4-methyloct-1-en-3-ol is C=C(Cl)C(O)C(C)CCCC.
What is the InChIKey of 2-chloro-4-methyloct-1-en-3-ol?
The InChIKey is XTIIZAWQANIPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClO/c1-4-5-6-7(2)9(11)8(3)10/h7,9,11H,3-6H2,1-2H3.
What are the key properties of 2-chloro-4-methyloct-1-en-3-ol?
2-chloro-4-methyloct-1-en-3-ol has a molecular weight of 176.69 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyloct-1-en-3-ol is sourced from PubChem (CID 54546510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).