(2S,5S)-5-[[(2S)-oxolan-2-yl]methyl]heptan-2-ol

C12H24O2 — CID 7095988

IUPAC(2S,5S)-5-[[(2S)-oxolan-2-yl]methyl]heptan-2-ol
SMILESCC[C@@H](CC[C@H](C)O)C[C@@H]1CCCO1
InChIInChI=1S/C12H24O2/c1-3-11(7-6-10(2)13)9-12-5-4-8-14-12/h10-13H,3-9H2,1-2H3/t10-,11-,12-/m0/s1
InChIKeyWRDHXNUNGYABFV-SRVKXCTJSA-N
MW200.32 g/mol
LogP2.74
Rot. Bonds6

About (2S,5S)-5-[[(2S)-oxolan-2-yl]methyl]heptan-2-ol

(2S,5S)-5-[[(2S)-oxolan-2-yl]methyl]heptan-2-ol (PubChem CID 7095988) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is (2S,5S)-5-[[(2S)-oxolan-2-yl]methyl]heptan-2-ol.

Molecular Properties

Compound Name(2S,5S)-5-[[(2S)-oxolan-2-yl]methyl]heptan-2-ol
PubChem CID7095988
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name(2S,5S)-5-[[(2S)-oxolan-2-yl]methyl]heptan-2-ol
SMILESCC[C@@H](CC[C@H](C)O)C[C@@H]1CCCO1
InChIInChI=1S/C12H24O2/c1-3-11(7-6-10(2)13)9-12-5-4-8-14-12/h10-13H,3-9H2,1-2H3/t10-,11-,12-/m0/s1
InChIKeyWRDHXNUNGYABFV-SRVKXCTJSA-N
XLogP2.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-(oxolan-2-yl)pentan-2-ol
CID 65148329
N-[2-(oxolan-2-ylmethyl)butyl]cyclopropanamine
CID 62548272
2-(2-ethylhexyl)oxetane
CID 158420180
(2R)-4-[(2R)-oxan-2-yl]butan-2-ol
CID 11171126
4-methyl-1-(oxolan-2-yl)hexan-3-ol
CID 65162291
1-(oxolan-2-yl)heptan-2-ol
CID 62606693
2-[1-(oxolan-2-yl)propan-2-ylamino]butan-1-ol
CID 115705336
5-ethylsulfonyl-1-(oxolan-2-yl)pentan-2-ol
CID 65098323
(2R)-1-(oxolan-2-yl)propan-2-amine
CID 104932128
2-ethyl-4-(oxolan-2-yl)butan-1-amine
CID 65165961
5-[3-(oxolan-2-yl)propylamino]pentan-2-ol
CID 107272097
1-(oxolan-2-ylmethylsulfanyl)butan-2-ol
CID 103579647

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-[[(2S)-oxolan-2-yl]methyl]heptan-2-ol?
The IUPAC name of (2S,5S)-5-[[(2S)-oxolan-2-yl]methyl]heptan-2-ol (CID 7095988) is (2S,5S)-5-[[(2S)-oxolan-2-yl]methyl]heptan-2-ol.
What is the SMILES notation for (2S,5S)-5-[[(2S)-oxolan-2-yl]methyl]heptan-2-ol?
The canonical SMILES for (2S,5S)-5-[[(2S)-oxolan-2-yl]methyl]heptan-2-ol is CC[C@@H](CC[C@H](C)O)C[C@@H]1CCCO1.
What is the InChIKey of (2S,5S)-5-[[(2S)-oxolan-2-yl]methyl]heptan-2-ol?
The InChIKey is WRDHXNUNGYABFV-SRVKXCTJSA-N. The full InChI is InChI=1S/C12H24O2/c1-3-11(7-6-10(2)13)9-12-5-4-8-14-12/h10-13H,3-9H2,1-2H3/t10-,11-,12-/m0/s1.
What are the key properties of (2S,5S)-5-[[(2S)-oxolan-2-yl]methyl]heptan-2-ol?
(2S,5S)-5-[[(2S)-oxolan-2-yl]methyl]heptan-2-ol has a molecular weight of 200.32 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-[[(2S)-oxolan-2-yl]methyl]heptan-2-ol is sourced from PubChem (CID 7095988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).