hexan-1-ol;2-methylpropane

C10H24O — CID 159802705

IUPAChexan-1-ol;2-methylpropane
SMILESCC(C)C.CCCCCCO
InChIInChI=1S/C6H14O.C4H10/c1-2-3-4-5-6-7;1-4(2)3/h7H,2-6H2,1H3;4H,1-3H3
InChIKeyNJZMWDJRUWWQAP-UHFFFAOYSA-N
MW160.30 g/mol
LogP3.22
Rot. Bonds4

About hexan-1-ol;2-methylpropane

hexan-1-ol;2-methylpropane (PubChem CID 159802705) has the molecular formula C10H24O and a molecular weight of 160.30 g/mol. Its IUPAC name is hexan-1-ol;2-methylpropane.

Molecular Properties

Compound Namehexan-1-ol;2-methylpropane
PubChem CID159802705
Molecular FormulaC10H24O
Molecular Weight160.30 g/mol
Exact Mass160.18
IUPAC Namehexan-1-ol;2-methylpropane
SMILESCC(C)C.CCCCCCO
InChIInChI=1S/C6H14O.C4H10/c1-2-3-4-5-6-7;1-4(2)3/h7H,2-6H2,1H3;4H,1-3H3
InChIKeyNJZMWDJRUWWQAP-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.30
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 22418527
dohexacontan-1-ol
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dodecan-1-ol;tetradecan-1-ol
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decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
CID 159582596
nonadecakis(heptane);nonan-1-ol
CID 173279398
heptan-1-ol;nonan-1-ol
CID 160785033
heptatriacontan-1-ol
CID 537071
undecan-1-ol
CID 122455065
hexan-1-ol;nonan-1-ol
CID 159104620
nonan-1-ol;tetradecan-1-ol
CID 174944242
hexan-1-ol;nonane
CID 175106830
octan-1-ol;pentane-1,5-diol
CID 174867151

Frequently Asked Questions

What is the IUPAC name of hexan-1-ol;2-methylpropane?
The IUPAC name of hexan-1-ol;2-methylpropane (CID 159802705) is hexan-1-ol;2-methylpropane.
What is the SMILES notation for hexan-1-ol;2-methylpropane?
The canonical SMILES for hexan-1-ol;2-methylpropane is CC(C)C.CCCCCCO.
What is the InChIKey of hexan-1-ol;2-methylpropane?
The InChIKey is NJZMWDJRUWWQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O.C4H10/c1-2-3-4-5-6-7;1-4(2)3/h7H,2-6H2,1H3;4H,1-3H3.
What are the key properties of hexan-1-ol;2-methylpropane?
hexan-1-ol;2-methylpropane has a molecular weight of 160.30 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexan-1-ol;2-methylpropane is sourced from PubChem (CID 159802705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).