4-(2,2-dimethylheptan-3-yl)cyclohexan-1-ol

C15H30O — CID 149361813

IUPAC4-(2,2-dimethylheptan-3-yl)cyclohexan-1-ol
SMILESCCCCC(C1CCC(O)CC1)C(C)(C)C
InChIInChI=1S/C15H30O/c1-5-6-7-14(15(2,3)4)12-8-10-13(16)11-9-12/h12-14,16H,5-11H2,1-4H3
InChIKeyYIBBAOFINCXINM-UHFFFAOYSA-N
MW226.40 g/mol
LogP4.39
Rot. Bonds4

About 4-(2,2-dimethylheptan-3-yl)cyclohexan-1-ol

4-(2,2-dimethylheptan-3-yl)cyclohexan-1-ol (PubChem CID 149361813) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is 4-(2,2-dimethylheptan-3-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(2,2-dimethylheptan-3-yl)cyclohexan-1-ol
PubChem CID149361813
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name4-(2,2-dimethylheptan-3-yl)cyclohexan-1-ol
SMILESCCCCC(C1CCC(O)CC1)C(C)(C)C
InChIInChI=1S/C15H30O/c1-5-6-7-14(15(2,3)4)12-8-10-13(16)11-9-12/h12-14,16H,5-11H2,1-4H3
InChIKeyYIBBAOFINCXINM-UHFFFAOYSA-N
XLogP4.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.40
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylheptan-3-yl)cyclohexan-1-ol?
The IUPAC name of 4-(2,2-dimethylheptan-3-yl)cyclohexan-1-ol (CID 149361813) is 4-(2,2-dimethylheptan-3-yl)cyclohexan-1-ol.
What is the SMILES notation for 4-(2,2-dimethylheptan-3-yl)cyclohexan-1-ol?
The canonical SMILES for 4-(2,2-dimethylheptan-3-yl)cyclohexan-1-ol is CCCCC(C1CCC(O)CC1)C(C)(C)C.
What is the InChIKey of 4-(2,2-dimethylheptan-3-yl)cyclohexan-1-ol?
The InChIKey is YIBBAOFINCXINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O/c1-5-6-7-14(15(2,3)4)12-8-10-13(16)11-9-12/h12-14,16H,5-11H2,1-4H3.
What are the key properties of 4-(2,2-dimethylheptan-3-yl)cyclohexan-1-ol?
4-(2,2-dimethylheptan-3-yl)cyclohexan-1-ol has a molecular weight of 226.40 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylheptan-3-yl)cyclohexan-1-ol is sourced from PubChem (CID 149361813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).