2-[4-(trideuteriomethyl)cyclohex-3-en-1-yl]propan-2-ol

C10H18O — CID 175869435

IUPAC2-[4-(trideuteriomethyl)cyclohex-3-en-1-yl]propan-2-ol
SMILES[2H]C([2H])([2H])C1=CCC(C(C)(C)O)CC1
InChIInChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/i1D3
InChIKeyWUOACPNHFRMFPN-FIBGUPNXSA-N
MW157.27 g/mol
LogP2.50
Rot. Bonds2

About 2-[4-(trideuteriomethyl)cyclohex-3-en-1-yl]propan-2-ol

2-[4-(trideuteriomethyl)cyclohex-3-en-1-yl]propan-2-ol (PubChem CID 175869435) has the molecular formula C10H18O and a molecular weight of 157.27 g/mol. Its IUPAC name is 2-[4-(trideuteriomethyl)cyclohex-3-en-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-[4-(trideuteriomethyl)cyclohex-3-en-1-yl]propan-2-ol
PubChem CID175869435
Molecular FormulaC10H18O
Molecular Weight157.27 g/mol
Exact Mass157.15
IUPAC Name2-[4-(trideuteriomethyl)cyclohex-3-en-1-yl]propan-2-ol
SMILES[2H]C([2H])([2H])C1=CCC(C(C)(C)O)CC1
InChIInChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/i1D3
InChIKeyWUOACPNHFRMFPN-FIBGUPNXSA-N
XLogP2.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylcyclohex-3-en-1-yl)propan-2-ol
CID 23186359
ethane;2-(4-methylcyclohex-3-en-1-yl)propan-2-ol
CID 145316988
2-[(3E,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-ol
CID 101418223
2-[(1R,3E,7E,11E)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]propan-2-ol
CID 6443020
2-(4-trimethylsilyloxycyclohex-3-en-1-yl)propan-2-ol
CID 121003415
2-[2,2,5,5-tetradeuterio-4-(trideuteriomethyl)cyclohex-3-en-1-yl]propan-2-ol
CID 101234616
4-tert-butyl-1-methylcyclohexene;ethane
CID 143859971
2-[(4E,10Z)-4,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-7-yl]propan-2-ol
CID 177464486
(4Z,8R,10E)-8-(2-hydroxypropan-2-yl)-5,11-dimethylcyclotetradeca-4,10-diene-1-carboxylic acid
CID 23728900
2-(4,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-7-yl)propan-2-ol
CID 71438233
4-ethyl-2-(4-methylcyclohex-3-en-1-yl)hexan-2-ol
CID 14610889
dichloropalladium;6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-ol;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene
CID 126843352

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trideuteriomethyl)cyclohex-3-en-1-yl]propan-2-ol?
The IUPAC name of 2-[4-(trideuteriomethyl)cyclohex-3-en-1-yl]propan-2-ol (CID 175869435) is 2-[4-(trideuteriomethyl)cyclohex-3-en-1-yl]propan-2-ol.
What is the SMILES notation for 2-[4-(trideuteriomethyl)cyclohex-3-en-1-yl]propan-2-ol?
The canonical SMILES for 2-[4-(trideuteriomethyl)cyclohex-3-en-1-yl]propan-2-ol is [2H]C([2H])([2H])C1=CCC(C(C)(C)O)CC1.
What is the InChIKey of 2-[4-(trideuteriomethyl)cyclohex-3-en-1-yl]propan-2-ol?
The InChIKey is WUOACPNHFRMFPN-FIBGUPNXSA-N. The full InChI is InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/i1D3.
What are the key properties of 2-[4-(trideuteriomethyl)cyclohex-3-en-1-yl]propan-2-ol?
2-[4-(trideuteriomethyl)cyclohex-3-en-1-yl]propan-2-ol has a molecular weight of 157.27 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trideuteriomethyl)cyclohex-3-en-1-yl]propan-2-ol is sourced from PubChem (CID 175869435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).