2,4,4-trimethyl-1-octylcyclohexan-1-ol

C17H34O — CID 81315445

IUPAC2,4,4-trimethyl-1-octylcyclohexan-1-ol
SMILESCCCCCCCCC1(O)CCC(C)(C)CC1C
InChIInChI=1S/C17H34O/c1-5-6-7-8-9-10-11-17(18)13-12-16(3,4)14-15(17)2/h15,18H,5-14H2,1-4H3
InChIKeyLDZBVCMRXWRTAG-UHFFFAOYSA-N
MW254.46 g/mol
LogP5.31
Rot. Bonds7

About 2,4,4-trimethyl-1-octylcyclohexan-1-ol

2,4,4-trimethyl-1-octylcyclohexan-1-ol (PubChem CID 81315445) has the molecular formula C17H34O and a molecular weight of 254.46 g/mol. Its IUPAC name is 2,4,4-trimethyl-1-octylcyclohexan-1-ol.

Molecular Properties

Compound Name2,4,4-trimethyl-1-octylcyclohexan-1-ol
PubChem CID81315445
Molecular FormulaC17H34O
Molecular Weight254.46 g/mol
Exact Mass254.26
IUPAC Name2,4,4-trimethyl-1-octylcyclohexan-1-ol
SMILESCCCCCCCCC1(O)CCC(C)(C)CC1C
InChIInChI=1S/C17H34O/c1-5-6-7-8-9-10-11-17(18)13-12-16(3,4)14-15(17)2/h15,18H,5-14H2,1-4H3
InChIKeyLDZBVCMRXWRTAG-UHFFFAOYSA-N
XLogP5.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.46
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethylhexyl)-2,4,4-trimethylcyclohexan-1-ol
CID 81314453
2-ethyl-1-hexylcyclopropan-1-ol
CID 85299282
2,4,4-trimethyl-1-prop-2-ynylcyclohexan-1-ol
CID 81314692
cis-(1S,2S)-1,2-dihexylcyclopropan-1-ol
CID 14921306
3-heptyl-2-methyloxolan-3-ol
CID 82718796
2-methyl-3-pentyloxolan-3-ol
CID 82718337
1-heptadecylcyclopropan-1-ol
CID 2802251
1-(3-hydroxypropyl)-2-methylcyclopropan-1-ol
CID 54261180
cis-(1R,2S)-2-methyl-2-nonylcyclopropan-1-ol
CID 102123339
2,4,4-trimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-ol
CID 103006543
1-(aminomethyl)-N,N-dibutyl-2,4,4-trimethylcyclohexan-1-amine
CID 81321456
2-ethyl-1-nonylcyclohexan-1-ol
CID 65149326

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-1-octylcyclohexan-1-ol?
The IUPAC name of 2,4,4-trimethyl-1-octylcyclohexan-1-ol (CID 81315445) is 2,4,4-trimethyl-1-octylcyclohexan-1-ol.
What is the SMILES notation for 2,4,4-trimethyl-1-octylcyclohexan-1-ol?
The canonical SMILES for 2,4,4-trimethyl-1-octylcyclohexan-1-ol is CCCCCCCCC1(O)CCC(C)(C)CC1C.
What is the InChIKey of 2,4,4-trimethyl-1-octylcyclohexan-1-ol?
The InChIKey is LDZBVCMRXWRTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O/c1-5-6-7-8-9-10-11-17(18)13-12-16(3,4)14-15(17)2/h15,18H,5-14H2,1-4H3.
What are the key properties of 2,4,4-trimethyl-1-octylcyclohexan-1-ol?
2,4,4-trimethyl-1-octylcyclohexan-1-ol has a molecular weight of 254.46 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-1-octylcyclohexan-1-ol is sourced from PubChem (CID 81315445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).