(1S)-1-[(1S)-2-deuterio-2,3,3-trimethylcyclopropyl]propan-1-ol

C9H18O — CID 134970380

IUPAC(1S)-1-[(1S)-2-deuterio-2,3,3-trimethylcyclopropyl]propan-1-ol
SMILES[2H]C1(C)[C@H]([C@@H](O)CC)C1(C)C
InChIInChI=1S/C9H18O/c1-5-7(10)8-6(2)9(8,3)4/h6-8,10H,5H2,1-4H3/t6?,7-,8+/m0/s1/i6D
InChIKeyOBXJLUZHLACLDY-XFOXSBRWSA-N
MW143.25 g/mol
LogP2.05
Rot. Bonds2

About (1S)-1-[(1S)-2-deuterio-2,3,3-trimethylcyclopropyl]propan-1-ol

(1S)-1-[(1S)-2-deuterio-2,3,3-trimethylcyclopropyl]propan-1-ol (PubChem CID 134970380) has the molecular formula C9H18O and a molecular weight of 143.25 g/mol. Its IUPAC name is (1S)-1-[(1S)-2-deuterio-2,3,3-trimethylcyclopropyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[(1S)-2-deuterio-2,3,3-trimethylcyclopropyl]propan-1-ol
PubChem CID134970380
Molecular FormulaC9H18O
Molecular Weight143.25 g/mol
Exact Mass143.14
IUPAC Name(1S)-1-[(1S)-2-deuterio-2,3,3-trimethylcyclopropyl]propan-1-ol
SMILES[2H]C1(C)[C@H]([C@@H](O)CC)C1(C)C
InChIInChI=1S/C9H18O/c1-5-7(10)8-6(2)9(8,3)4/h6-8,10H,5H2,1-4H3/t6?,7-,8+/m0/s1/i6D
InChIKeyOBXJLUZHLACLDY-XFOXSBRWSA-N
XLogP2.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-Dimethyl-3-heptanol
CID 140545
2-Heptanol, 3,4,5,6,6-pentamethyl-
CID 15219341
2,2-Dimethyl-3-heptanol
CID 140543
1-Cyclopropylhexan-1-ol
CID 12422982
2-(2,2,3,3-Tetramethylcyclopropyl)ethan-1-ol
CID 129809488
4,6,6-Trimethyl-2-heptanol
CID 3016592
[1-(2-Methylpropyl)cyclopropyl]methanol
CID 59295085
3-(2,2-Dimethylcyclopropyl)propan-1-ol
CID 73721210
(2-Tert-butylcyclopropyl)methanol
CID 85299219
2,2,3,3-Tetramethylcyclopropanemethanol
CID 544179
alpha-Butylcyclopropanemethanol
CID 551238
(2S,3R,10R)-2-pentylspiro[2.7]decan-10-ol
CID 68326331

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(1S)-2-deuterio-2,3,3-trimethylcyclopropyl]propan-1-ol?
The IUPAC name of (1S)-1-[(1S)-2-deuterio-2,3,3-trimethylcyclopropyl]propan-1-ol (CID 134970380) is (1S)-1-[(1S)-2-deuterio-2,3,3-trimethylcyclopropyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[(1S)-2-deuterio-2,3,3-trimethylcyclopropyl]propan-1-ol?
The canonical SMILES for (1S)-1-[(1S)-2-deuterio-2,3,3-trimethylcyclopropyl]propan-1-ol is [2H]C1(C)[C@H]([C@@H](O)CC)C1(C)C.
What is the InChIKey of (1S)-1-[(1S)-2-deuterio-2,3,3-trimethylcyclopropyl]propan-1-ol?
The InChIKey is OBXJLUZHLACLDY-XFOXSBRWSA-N. The full InChI is InChI=1S/C9H18O/c1-5-7(10)8-6(2)9(8,3)4/h6-8,10H,5H2,1-4H3/t6?,7-,8+/m0/s1/i6D.
What are the key properties of (1S)-1-[(1S)-2-deuterio-2,3,3-trimethylcyclopropyl]propan-1-ol?
(1S)-1-[(1S)-2-deuterio-2,3,3-trimethylcyclopropyl]propan-1-ol has a molecular weight of 143.25 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(1S)-2-deuterio-2,3,3-trimethylcyclopropyl]propan-1-ol is sourced from PubChem (CID 134970380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).