2-[(1S)-4-methylcyclohex-3-en-1-yl]-1-tritiopropan-1-ol

C10H18O — CID 10931690

IUPAC2-[(1S)-4-methylcyclohex-3-en-1-yl]-1-tritiopropan-1-ol
SMILES[3H]C(O)C(C)[C@@H]1CC=C(C)CC1
InChIInChI=1S/C10H18O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,9-11H,4-7H2,1-2H3/t9?,10-/m1/s1/i7T/t7?,9?,10-
InChIKeyZTYHGIAOVUPAAH-DYYTXPATSA-N
MW156.26 g/mol
LogP2.36
Rot. Bonds2

About 2-[(1S)-4-methylcyclohex-3-en-1-yl]-1-tritiopropan-1-ol

2-[(1S)-4-methylcyclohex-3-en-1-yl]-1-tritiopropan-1-ol (PubChem CID 10931690) has the molecular formula C10H18O and a molecular weight of 156.26 g/mol. Its IUPAC name is 2-[(1S)-4-methylcyclohex-3-en-1-yl]-1-tritiopropan-1-ol.

Molecular Properties

Compound Name2-[(1S)-4-methylcyclohex-3-en-1-yl]-1-tritiopropan-1-ol
PubChem CID10931690
Molecular FormulaC10H18O
Molecular Weight156.26 g/mol
Exact Mass156.14
IUPAC Name2-[(1S)-4-methylcyclohex-3-en-1-yl]-1-tritiopropan-1-ol
SMILES[3H]C(O)C(C)[C@@H]1CC=C(C)CC1
InChIInChI=1S/C10H18O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,9-11H,4-7H2,1-2H3/t9?,10-/m1/s1/i7T/t7?,9?,10-
InChIKeyZTYHGIAOVUPAAH-DYYTXPATSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.26
LogP ≤ 52.36
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)propane-1-thiol
CID 59610016
1-cyclopentylethanol;2-(4-methylcyclohex-3-en-1-yl)propan-1-ol
CID 18968481
4-(4-chlorobutan-2-yl)-1-methylcyclohexene
CID 123381181
3-[(1S)-4-methylcyclohex-3-en-1-yl]butanal
CID 130643882
(E)-6-(4-methylcyclohex-3-en-1-yl)hept-2-en-4-one
CID 90805896
N,N-dibutyl-3-(4-methylcyclohex-3-en-1-yl)butan-1-amine
CID 102454968
4-butan-2-yl-1-methylcyclohexene;5-methylbenzene-4,6-diide-1,3-diol;bis(yttrium)
CID 156810022
2-(4-methylcyclohex-3-en-1-yl)propyl-triphenylgermane
CID 86023740
triethoxy-[(2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propyl]silane
CID 124629998
methyl 5-(4-methylcyclohex-3-en-1-yl)hexanoate
CID 85377687
1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-1,5,9-triene
CID 75094485
(1E,5E,9E)-1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-1,5,9-triene
CID 171904454

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-4-methylcyclohex-3-en-1-yl]-1-tritiopropan-1-ol?
The IUPAC name of 2-[(1S)-4-methylcyclohex-3-en-1-yl]-1-tritiopropan-1-ol (CID 10931690) is 2-[(1S)-4-methylcyclohex-3-en-1-yl]-1-tritiopropan-1-ol.
What is the SMILES notation for 2-[(1S)-4-methylcyclohex-3-en-1-yl]-1-tritiopropan-1-ol?
The canonical SMILES for 2-[(1S)-4-methylcyclohex-3-en-1-yl]-1-tritiopropan-1-ol is [3H]C(O)C(C)[C@@H]1CC=C(C)CC1.
What is the InChIKey of 2-[(1S)-4-methylcyclohex-3-en-1-yl]-1-tritiopropan-1-ol?
The InChIKey is ZTYHGIAOVUPAAH-DYYTXPATSA-N. The full InChI is InChI=1S/C10H18O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,9-11H,4-7H2,1-2H3/t9?,10-/m1/s1/i7T/t7?,9?,10-.
What are the key properties of 2-[(1S)-4-methylcyclohex-3-en-1-yl]-1-tritiopropan-1-ol?
2-[(1S)-4-methylcyclohex-3-en-1-yl]-1-tritiopropan-1-ol has a molecular weight of 156.26 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-4-methylcyclohex-3-en-1-yl]-1-tritiopropan-1-ol is sourced from PubChem (CID 10931690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).