4-(cyclopropylmethyl)-2,6-dimethylheptan-4-ol

C13H26O — CID 114865349

IUPAC4-(cyclopropylmethyl)-2,6-dimethylheptan-4-ol
SMILESCC(C)CC(O)(CC(C)C)CC1CC1
InChIInChI=1S/C13H26O/c1-10(2)7-13(14,8-11(3)4)9-12-5-6-12/h10-12,14H,5-9H2,1-4H3
InChIKeyUIHXBMDYSJGIHK-UHFFFAOYSA-N
MW198.35 g/mol
LogP3.61
Rot. Bonds6

About 4-(cyclopropylmethyl)-2,6-dimethylheptan-4-ol

4-(cyclopropylmethyl)-2,6-dimethylheptan-4-ol (PubChem CID 114865349) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-2,6-dimethylheptan-4-ol.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-2,6-dimethylheptan-4-ol
PubChem CID114865349
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name4-(cyclopropylmethyl)-2,6-dimethylheptan-4-ol
SMILESCC(C)CC(O)(CC(C)C)CC1CC1
InChIInChI=1S/C13H26O/c1-10(2)7-13(14,8-11(3)4)9-12-5-6-12/h10-12,14H,5-9H2,1-4H3
InChIKeyUIHXBMDYSJGIHK-UHFFFAOYSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-methylpropyl)-4-(trifluoromethyl)cyclohexane
CID 71231425
4-cyclopropyl-2,6-dimethylheptan-4-ol
CID 114865303
1-cyclopropyl-2-methylpropan-2-ol;hydrochloride
CID 67125178
6-ethyl-2-methyl-4-(2-methylpropyl)octan-4-ol
CID 114865537
5-amino-1-cyclopropyl-2-methylpentane-2,4-diol
CID 165438618
1-cyclopropyl-2-[3-(2-methylpropyl)phenyl]propan-2-ol
CID 116542889
[2,2-bis(methoxymethyl)-4-methylpentyl]cyclobutane
CID 141250115
ethane;1-methyl-4-(2,2,4-trimethylpentyl)piperidine
CID 142409504
4-[2,2-bis(chloromethyl)-4-methylpentyl]oxane
CID 79447305
1,1,1-trifluoro-6-methyl-4-(2-methylpropyl)heptan-4-ol
CID 114865192
1-(4-aminocyclohexyl)-2-methylpropan-2-ol
CID 83816306
3-hydroxy-5-methyl-3-(2-methylpropyl)hexanamide
CID 139781275

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-2,6-dimethylheptan-4-ol?
The IUPAC name of 4-(cyclopropylmethyl)-2,6-dimethylheptan-4-ol (CID 114865349) is 4-(cyclopropylmethyl)-2,6-dimethylheptan-4-ol.
What is the SMILES notation for 4-(cyclopropylmethyl)-2,6-dimethylheptan-4-ol?
The canonical SMILES for 4-(cyclopropylmethyl)-2,6-dimethylheptan-4-ol is CC(C)CC(O)(CC(C)C)CC1CC1.
What is the InChIKey of 4-(cyclopropylmethyl)-2,6-dimethylheptan-4-ol?
The InChIKey is UIHXBMDYSJGIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-10(2)7-13(14,8-11(3)4)9-12-5-6-12/h10-12,14H,5-9H2,1-4H3.
What are the key properties of 4-(cyclopropylmethyl)-2,6-dimethylheptan-4-ol?
4-(cyclopropylmethyl)-2,6-dimethylheptan-4-ol has a molecular weight of 198.35 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-2,6-dimethylheptan-4-ol is sourced from PubChem (CID 114865349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).