trans-(1R,2S)-1-[(1S)-1-hydroxypentyl]-2-methylcyclopropan-1-ol

C9H18O2 — CID 131230361

IUPACtrans-(1R,2S)-1-[(1S)-1-hydroxypentyl]-2-methylcyclopropan-1-ol
SMILESCCCC[C@H](O)[C@@]1(O)C[C@@H]1C
InChIInChI=1S/C9H18O2/c1-3-4-5-8(10)9(11)6-7(9)2/h7-8,10-11H,3-6H2,1-2H3/t7-,8-,9+/m0/s1
InChIKeyPYHADOLZZRBPFH-XHNCKOQMSA-N
MW158.24 g/mol
LogP1.31
Rot. Bonds4

About trans-(1R,2S)-1-[(1S)-1-hydroxypentyl]-2-methylcyclopropan-1-ol

trans-(1R,2S)-1-[(1S)-1-hydroxypentyl]-2-methylcyclopropan-1-ol (PubChem CID 131230361) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is trans-(1R,2S)-1-[(1S)-1-hydroxypentyl]-2-methylcyclopropan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2S)-1-[(1S)-1-hydroxypentyl]-2-methylcyclopropan-1-ol
PubChem CID131230361
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Nametrans-(1R,2S)-1-[(1S)-1-hydroxypentyl]-2-methylcyclopropan-1-ol
SMILESCCCC[C@H](O)[C@@]1(O)C[C@@H]1C
InChIInChI=1S/C9H18O2/c1-3-4-5-8(10)9(11)6-7(9)2/h7-8,10-11H,3-6H2,1-2H3/t7-,8-,9+/m0/s1
InChIKeyPYHADOLZZRBPFH-XHNCKOQMSA-N
XLogP1.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-hydroxypentyl)-4-methylcyclohexan-1-ol
CID 103452288
(1R)-1-[1-(aminomethyl)-3-methylcyclobutyl]pentan-1-ol
CID 97035451
1-(1-adamantyl)pentan-1-ol
CID 584500
1-heptan-3-yl-2-methylcyclopropan-1-ol;hexanedioic acid
CID 70579459
2-methyl-1-pentan-3-ylcyclopropan-1-ol
CID 79332194
1-(1-hydroxypentyl)-3-methylcyclopentane-1-carbonitrile
CID 79131922
1-(1-adamantyl)octan-1-ol
CID 63411073
1-(1-hydroxypentyl)-3-methylcyclohexane-1-carbonitrile
CID 79133044
1-(1-methylcyclopentyl)nonan-1-ol
CID 115784043
1-(1-methylcyclopentyl)heptan-1-ol
CID 115783527
1-(1-hydroxydodecyl)cyclohexan-1-ol
CID 23056048
1-[(1R,2R)-2-methylcyclopentyl]pentan-1-ol
CID 102037625

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-1-[(1S)-1-hydroxypentyl]-2-methylcyclopropan-1-ol?
The IUPAC name of trans-(1R,2S)-1-[(1S)-1-hydroxypentyl]-2-methylcyclopropan-1-ol (CID 131230361) is trans-(1R,2S)-1-[(1S)-1-hydroxypentyl]-2-methylcyclopropan-1-ol.
What is the SMILES notation for trans-(1R,2S)-1-[(1S)-1-hydroxypentyl]-2-methylcyclopropan-1-ol?
The canonical SMILES for trans-(1R,2S)-1-[(1S)-1-hydroxypentyl]-2-methylcyclopropan-1-ol is CCCC[C@H](O)[C@@]1(O)C[C@@H]1C.
What is the InChIKey of trans-(1R,2S)-1-[(1S)-1-hydroxypentyl]-2-methylcyclopropan-1-ol?
The InChIKey is PYHADOLZZRBPFH-XHNCKOQMSA-N. The full InChI is InChI=1S/C9H18O2/c1-3-4-5-8(10)9(11)6-7(9)2/h7-8,10-11H,3-6H2,1-2H3/t7-,8-,9+/m0/s1.
What are the key properties of trans-(1R,2S)-1-[(1S)-1-hydroxypentyl]-2-methylcyclopropan-1-ol?
trans-(1R,2S)-1-[(1S)-1-hydroxypentyl]-2-methylcyclopropan-1-ol has a molecular weight of 158.24 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-1-[(1S)-1-hydroxypentyl]-2-methylcyclopropan-1-ol is sourced from PubChem (CID 131230361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).