4-cycloheptylheptan-4-ol

C14H28O — CID 114866126

IUPAC4-cycloheptylheptan-4-ol
SMILESCCCC(O)(CCC)C1CCCCCC1
InChIInChI=1S/C14H28O/c1-3-11-14(15,12-4-2)13-9-7-5-6-8-10-13/h13,15H,3-12H2,1-2H3
InChIKeyHSGCVGHPEDTGTD-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.29
Rot. Bonds5

About 4-cycloheptylheptan-4-ol

4-cycloheptylheptan-4-ol (PubChem CID 114866126) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 4-cycloheptylheptan-4-ol.

Molecular Properties

Compound Name4-cycloheptylheptan-4-ol
PubChem CID114866126
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name4-cycloheptylheptan-4-ol
SMILESCCCC(O)(CCC)C1CCCCCC1
InChIInChI=1S/C14H28O/c1-3-11-14(15,12-4-2)13-9-7-5-6-8-10-13/h13,15H,3-12H2,1-2H3
InChIKeyHSGCVGHPEDTGTD-UHFFFAOYSA-N
XLogP4.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-cycloheptylheptan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-cyclopentylheptan-4-ol
CID 114865959
2-cyclohexylpentan-2-ol
CID 75245103
3-cyclopentylpentan-3-ol;sulfane
CID 160773111
1-cyclohexyl-1-(ethylamino)butan-1-ol
CID 174869240
2-cyclohexylpropane-1,2,3-triol
CID 102037318
1-cyclohexylbutane-1,1-dithiol
CID 175490889
4-(2-ethylcyclohexyl)heptan-4-ol
CID 114865932
2-cyclohexylbutan-2-ol
CID 14023764
CID 88829584
CID 88829584
2-cyclohexyl-2-methylpropane-1,3-diol;2,2-dipropylpropane-1,3-diol
CID 22666726
2-cyclohexyl-2-hydroxyhexanal
CID 174819252
1-cyclooctylethane-1,1-diol
CID 22410754

Frequently Asked Questions

What is the IUPAC name of 4-cycloheptylheptan-4-ol?
The IUPAC name of 4-cycloheptylheptan-4-ol (CID 114866126) is 4-cycloheptylheptan-4-ol.
What is the SMILES notation for 4-cycloheptylheptan-4-ol?
The canonical SMILES for 4-cycloheptylheptan-4-ol is CCCC(O)(CCC)C1CCCCCC1.
What is the InChIKey of 4-cycloheptylheptan-4-ol?
The InChIKey is HSGCVGHPEDTGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-3-11-14(15,12-4-2)13-9-7-5-6-8-10-13/h13,15H,3-12H2,1-2H3.
What are the key properties of 4-cycloheptylheptan-4-ol?
4-cycloheptylheptan-4-ol has a molecular weight of 212.38 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptylheptan-4-ol is sourced from PubChem (CID 114866126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).