1-(4-propan-2-ylcycloheptyl)butan-1-ol

C14H28O — CID 83050929

IUPAC1-(4-propan-2-ylcycloheptyl)butan-1-ol
SMILESCCCC(O)C1CCCC(C(C)C)CC1
InChIInChI=1S/C14H28O/c1-4-6-14(15)13-8-5-7-12(9-10-13)11(2)3/h11-15H,4-10H2,1-3H3
InChIKeyPUTAAAPWRLUUCS-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.00
Rot. Bonds4

About 1-(4-propan-2-ylcycloheptyl)butan-1-ol

1-(4-propan-2-ylcycloheptyl)butan-1-ol (PubChem CID 83050929) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-(4-propan-2-ylcycloheptyl)butan-1-ol.

Molecular Properties

Compound Name1-(4-propan-2-ylcycloheptyl)butan-1-ol
PubChem CID83050929
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name1-(4-propan-2-ylcycloheptyl)butan-1-ol
SMILESCCCC(O)C1CCCC(C(C)C)CC1
InChIInChI=1S/C14H28O/c1-4-6-14(15)13-8-5-7-12(9-10-13)11(2)3/h11-15H,4-10H2,1-3H3
InChIKeyPUTAAAPWRLUUCS-UHFFFAOYSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclobutyl-3-methylhexan-1-ol
CID 64986952
1-[4-(2-hydroxyethyl)cyclohexyl]butan-1-ol
CID 126505597
1-[4-(hydroxymethyl)cyclohexyl]butan-1-ol
CID 126505676
1-cyclopropylpentan-1-ol
CID 551238
1-cyclobutyl-3-propoxypropan-1-ol
CID 105130749
2-(1-hydroxybutyl)-4-propan-2-ylcyclohexan-1-ol
CID 23443060
1-cyclobutylpentane-1,2-diol
CID 103454869
1-(thian-3-yl)butan-1-ol
CID 130518370
1-[4-(2-methylbutan-2-yl)cyclohexyl]butan-1-ol
CID 83051969
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)butan-1-ol
CID 115780854
1-cyclopropylheptan-1-ol
CID 10909821
1-cyclopropyltetradecan-1-ol
CID 63461268

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylcycloheptyl)butan-1-ol?
The IUPAC name of 1-(4-propan-2-ylcycloheptyl)butan-1-ol (CID 83050929) is 1-(4-propan-2-ylcycloheptyl)butan-1-ol.
What is the SMILES notation for 1-(4-propan-2-ylcycloheptyl)butan-1-ol?
The canonical SMILES for 1-(4-propan-2-ylcycloheptyl)butan-1-ol is CCCC(O)C1CCCC(C(C)C)CC1.
What is the InChIKey of 1-(4-propan-2-ylcycloheptyl)butan-1-ol?
The InChIKey is PUTAAAPWRLUUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-4-6-14(15)13-8-5-7-12(9-10-13)11(2)3/h11-15H,4-10H2,1-3H3.
What are the key properties of 1-(4-propan-2-ylcycloheptyl)butan-1-ol?
1-(4-propan-2-ylcycloheptyl)butan-1-ol has a molecular weight of 212.38 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylcycloheptyl)butan-1-ol is sourced from PubChem (CID 83050929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).