(3R)-3,4,4-trimethyloxan-3-ol

C8H16O2 — CID 167089912

IUPAC(3R)-3,4,4-trimethyloxan-3-ol
SMILESCC1(C)CCOC[C@]1(C)O
InChIInChI=1S/C8H16O2/c1-7(2)4-5-10-6-8(7,3)9/h9H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyBMYPFHOIDSQBLH-QMMMGPOBSA-N
MW144.21 g/mol
LogP1.18
Rot. Bonds

About (3R)-3,4,4-trimethyloxan-3-ol

(3R)-3,4,4-trimethyloxan-3-ol (PubChem CID 167089912) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (3R)-3,4,4-trimethyloxan-3-ol.

Molecular Properties

Compound Name(3R)-3,4,4-trimethyloxan-3-ol
PubChem CID167089912
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(3R)-3,4,4-trimethyloxan-3-ol
SMILESCC1(C)CCOC[C@]1(C)O
InChIInChI=1S/C8H16O2/c1-7(2)4-5-10-6-8(7,3)9/h9H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyBMYPFHOIDSQBLH-QMMMGPOBSA-N
XLogP1.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(aminomethyl)oxolan-3-yl]-2,2-dimethylcyclohexan-1-ol
CID 79852618
(3S)-3-propan-2-yloxolan-3-ol
CID 95379239
(3-methyloxolan-3-yl)methanethiol
CID 155973621
3-(difluoromethyl)-3-methyloxolane
CID 164918548
(3S)-3-(aminomethyl)oxolan-3-ol
CID 95305956
1-[3-(aminomethyl)oxan-3-yl]-2,2-dimethylcyclopentan-1-ol
CID 103738417
N,3-dimethyloxolane-3-carboxamide
CID 127840773
3-(1-hydroxy-2,2-dimethylcyclopentyl)oxane-3-carbonitrile
CID 103738416
(3-methyloxolan-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 170181641
(3-hydroxyoxolan-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 170181625
3-propan-2-yloxolane-3-carboxamide
CID 170386865
3-[2-(methylamino)ethyl]oxolan-3-ol
CID 83904982

Frequently Asked Questions

What is the IUPAC name of (3R)-3,4,4-trimethyloxan-3-ol?
The IUPAC name of (3R)-3,4,4-trimethyloxan-3-ol (CID 167089912) is (3R)-3,4,4-trimethyloxan-3-ol.
What is the SMILES notation for (3R)-3,4,4-trimethyloxan-3-ol?
The canonical SMILES for (3R)-3,4,4-trimethyloxan-3-ol is CC1(C)CCOC[C@]1(C)O.
What is the InChIKey of (3R)-3,4,4-trimethyloxan-3-ol?
The InChIKey is BMYPFHOIDSQBLH-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H16O2/c1-7(2)4-5-10-6-8(7,3)9/h9H,4-6H2,1-3H3/t8-/m0/s1.
What are the key properties of (3R)-3,4,4-trimethyloxan-3-ol?
(3R)-3,4,4-trimethyloxan-3-ol has a molecular weight of 144.21 g/mol, XLogP of 1.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,4,4-trimethyloxan-3-ol is sourced from PubChem (CID 167089912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).