1-cyclopropyl-1-methoxydodecan-2-ol

C16H32O2 — CID 116712498

IUPAC1-cyclopropyl-1-methoxydodecan-2-ol
SMILESCCCCCCCCCCC(O)C(OC)C1CC1
InChIInChI=1S/C16H32O2/c1-3-4-5-6-7-8-9-10-11-15(17)16(18-2)14-12-13-14/h14-17H,3-13H2,1-2H3
InChIKeyBBDMKHRWXSTDEM-UHFFFAOYSA-N
MW256.43 g/mol
LogP4.30
Rot. Bonds12

About 1-cyclopropyl-1-methoxydodecan-2-ol

1-cyclopropyl-1-methoxydodecan-2-ol (PubChem CID 116712498) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-cyclopropyl-1-methoxydodecan-2-ol.

Molecular Properties

Compound Name1-cyclopropyl-1-methoxydodecan-2-ol
PubChem CID116712498
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name1-cyclopropyl-1-methoxydodecan-2-ol
SMILESCCCCCCCCCCC(O)C(OC)C1CC1
InChIInChI=1S/C16H32O2/c1-3-4-5-6-7-8-9-10-11-15(17)16(18-2)14-12-13-14/h14-17H,3-13H2,1-2H3
InChIKeyBBDMKHRWXSTDEM-UHFFFAOYSA-N
XLogP4.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-1-methoxydodecan-2-ol
CID 116756363
1-cyclohexyl-1-methoxynonan-2-ol
CID 14761900
1-cyclopropyl-1-ethoxytetradecan-2-ol
CID 116712966
1-cyclopropyl-6,6,6-trifluoro-1-methoxyhexan-2-ol
CID 116712667
1-cyclohexyl-1-methoxynon-8-en-2-ol
CID 107008733
1-cyclopropylheptan-1-ol
CID 10909821
1-cyclopropyl-1,3-dimethoxypropan-2-ol
CID 116712579
1-cyclopropyltetradecan-1-ol
CID 63461268
1-cyclopropyltridecan-1-ol
CID 63410999
nonacosane-14,15-diol
CID 91509633
1-cyclohexyldodecane-1,2-diol
CID 103459050
(2R,3R)-1,1-dimethoxydecane-2,3-diol
CID 121009247

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-methoxydodecan-2-ol?
The IUPAC name of 1-cyclopropyl-1-methoxydodecan-2-ol (CID 116712498) is 1-cyclopropyl-1-methoxydodecan-2-ol.
What is the SMILES notation for 1-cyclopropyl-1-methoxydodecan-2-ol?
The canonical SMILES for 1-cyclopropyl-1-methoxydodecan-2-ol is CCCCCCCCCCC(O)C(OC)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-methoxydodecan-2-ol?
The InChIKey is BBDMKHRWXSTDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-3-4-5-6-7-8-9-10-11-15(17)16(18-2)14-12-13-14/h14-17H,3-13H2,1-2H3.
What are the key properties of 1-cyclopropyl-1-methoxydodecan-2-ol?
1-cyclopropyl-1-methoxydodecan-2-ol has a molecular weight of 256.43 g/mol, XLogP of 4.30, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-methoxydodecan-2-ol is sourced from PubChem (CID 116712498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).