2,4,4-trimethylcyclopentan-1-ol

C8H16O — CID 559097

IUPAC2,4,4-trimethylcyclopentan-1-ol
SMILESCC1CC(C)(C)CC1O
InChIInChI=1S/C8H16O/c1-6-4-8(2,3)5-7(6)9/h6-7,9H,4-5H2,1-3H3
InChIKeyQIXDCVATINBRLV-UHFFFAOYSA-N
MW128.21 g/mol
LogP1.80
Rot. Bonds

About 2,4,4-trimethylcyclopentan-1-ol

2,4,4-trimethylcyclopentan-1-ol (PubChem CID 559097) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 2,4,4-trimethylcyclopentan-1-ol.

Molecular Properties

Compound Name2,4,4-trimethylcyclopentan-1-ol
PubChem CID559097
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name2,4,4-trimethylcyclopentan-1-ol
SMILESCC1CC(C)(C)CC1O
InChIInChI=1S/C8H16O/c1-6-4-8(2,3)5-7(6)9/h6-7,9H,4-5H2,1-3H3
InChIKeyQIXDCVATINBRLV-UHFFFAOYSA-N
XLogP1.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-Dimethylcyclopentan-1-ol
CID 13468167
2,2,5,5-Tetramethylcyclopentan-1-ol
CID 551696
1-Cyclopentyl-2,2-dimethyl-1-propanol
CID 545293
rac-(1R,2S)-2-tert-butylcyclopentan-1-ol
CID 60085152
(3,3-Dimethylcyclopentyl)methanol
CID 58806258
2,4-Dimethylcyclopentanol
CID 551401
Cyclopentanol, 2,2-dimethyl-, (R)-
CID 11040664
3-t-Butylcyclopentanol
CID 12859942
Cyclopentanol, 2,2-dimethyl-, (S)-
CID 13468168
(1,3-Dimethylcyclopentyl)methanol
CID 22213529
1-(1-Methylcyclopentyl)propan-1-ol
CID 91096372
3,5,5-Trimethylheptan-2-ol
CID 71323588

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethylcyclopentan-1-ol?
The IUPAC name of 2,4,4-trimethylcyclopentan-1-ol (CID 559097) is 2,4,4-trimethylcyclopentan-1-ol.
What is the SMILES notation for 2,4,4-trimethylcyclopentan-1-ol?
The canonical SMILES for 2,4,4-trimethylcyclopentan-1-ol is CC1CC(C)(C)CC1O.
What is the InChIKey of 2,4,4-trimethylcyclopentan-1-ol?
The InChIKey is QIXDCVATINBRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-6-4-8(2,3)5-7(6)9/h6-7,9H,4-5H2,1-3H3.
What are the key properties of 2,4,4-trimethylcyclopentan-1-ol?
2,4,4-trimethylcyclopentan-1-ol has a molecular weight of 128.21 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethylcyclopentan-1-ol is sourced from PubChem (CID 559097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).