(1S,3S,4S,5R,7S)-7-methyl-3-propan-2-yl-6,8-dioxabicyclo[3.2.1]octan-4-ol

C10H18O3 — CID 177073250

IUPAC(1S,3S,4S,5R,7S)-7-methyl-3-propan-2-yl-6,8-dioxabicyclo[3.2.1]octan-4-ol
SMILESCC(C)[C@@H]1C[C@@H]2O[C@@H](O[C@H]2C)[C@H]1O
InChIInChI=1S/C10H18O3/c1-5(2)7-4-8-6(3)12-10(13-8)9(7)11/h5-11H,4H2,1-3H3/t6-,7-,8-,9-,10+/m0/s1
InChIKeyYQDNJKFMLWBUJC-BQHMLIOBSA-N
MW186.25 g/mol
LogP1.15
Rot. Bonds1

About (1S,3S,4S,5R,7S)-7-methyl-3-propan-2-yl-6,8-dioxabicyclo[3.2.1]octan-4-ol

(1S,3S,4S,5R,7S)-7-methyl-3-propan-2-yl-6,8-dioxabicyclo[3.2.1]octan-4-ol (PubChem CID 177073250) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (1S,3S,4S,5R,7S)-7-methyl-3-propan-2-yl-6,8-dioxabicyclo[3.2.1]octan-4-ol.

Molecular Properties

Compound Name(1S,3S,4S,5R,7S)-7-methyl-3-propan-2-yl-6,8-dioxabicyclo[3.2.1]octan-4-ol
PubChem CID177073250
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(1S,3S,4S,5R,7S)-7-methyl-3-propan-2-yl-6,8-dioxabicyclo[3.2.1]octan-4-ol
SMILESCC(C)[C@@H]1C[C@@H]2O[C@@H](O[C@H]2C)[C@H]1O
InChIInChI=1S/C10H18O3/c1-5(2)7-4-8-6(3)12-10(13-8)9(7)11/h5-11H,4H2,1-3H3/t6-,7-,8-,9-,10+/m0/s1
InChIKeyYQDNJKFMLWBUJC-BQHMLIOBSA-N
XLogP1.15
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,3S,4S,5R,7S)-7-methyl-3-propan-2-yl-6,8-dioxabicyclo[3.2.1]octan-4-ol with MolForge

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Related Compounds

cis-(1R,2S)-3,5-di(propan-2-yl)cyclopentane-1,2-diol
CID 162463333
(1R,3S,4S,5R,7R)-7-methyl-3-propan-2-yl-6-oxabicyclo[3.2.2]non-8-en-4-ol
CID 176685775
2,5-dimethyl-3-propan-2-yloxolane
CID 164557696
4-amino-2,6-di(propan-2-yl)cyclohexan-1-ol
CID 58351133
2-tert-butyl-5-propan-2-yl-7-oxabicyclo[2.2.1]heptane
CID 155634444
(3S,4R,6R)-4-amino-2-methyl-6-propan-2-yloxan-3-ol
CID 89411156
(2S,3R,4S,6R)-4-amino-2-methyl-6-propan-2-yloxan-3-ol
CID 134195892
(1R,2S,3R,4R,5S,7R)-4,7-dimethyl-3-propan-2-yl-6,8-dioxabicyclo[3.2.1]octan-2-ol
CID 177073132
3-methyl-2,5,7-tri(propan-2-yl)cycloheptan-1-ol
CID 90951781
(1S,2S,3R,4S,5R)-7,7-dideuterio-2-methyl-3-propan-2-yl-6,8-dioxabicyclo[3.2.1]octan-4-ol
CID 177073209
3-propan-2-yl-2,6-dioxabicyclo[3.1.0]hexane
CID 163523755
(1R,2R,4S,5R)-5-propan-2-ylcyclohexane-1,2,4-triol
CID 157009791

Frequently Asked Questions

What is the IUPAC name of (1S,3S,4S,5R,7S)-7-methyl-3-propan-2-yl-6,8-dioxabicyclo[3.2.1]octan-4-ol?
The IUPAC name of (1S,3S,4S,5R,7S)-7-methyl-3-propan-2-yl-6,8-dioxabicyclo[3.2.1]octan-4-ol (CID 177073250) is (1S,3S,4S,5R,7S)-7-methyl-3-propan-2-yl-6,8-dioxabicyclo[3.2.1]octan-4-ol.
What is the SMILES notation for (1S,3S,4S,5R,7S)-7-methyl-3-propan-2-yl-6,8-dioxabicyclo[3.2.1]octan-4-ol?
The canonical SMILES for (1S,3S,4S,5R,7S)-7-methyl-3-propan-2-yl-6,8-dioxabicyclo[3.2.1]octan-4-ol is CC(C)[C@@H]1C[C@@H]2O[C@@H](O[C@H]2C)[C@H]1O.
What is the InChIKey of (1S,3S,4S,5R,7S)-7-methyl-3-propan-2-yl-6,8-dioxabicyclo[3.2.1]octan-4-ol?
The InChIKey is YQDNJKFMLWBUJC-BQHMLIOBSA-N. The full InChI is InChI=1S/C10H18O3/c1-5(2)7-4-8-6(3)12-10(13-8)9(7)11/h5-11H,4H2,1-3H3/t6-,7-,8-,9-,10+/m0/s1.
What are the key properties of (1S,3S,4S,5R,7S)-7-methyl-3-propan-2-yl-6,8-dioxabicyclo[3.2.1]octan-4-ol?
(1S,3S,4S,5R,7S)-7-methyl-3-propan-2-yl-6,8-dioxabicyclo[3.2.1]octan-4-ol has a molecular weight of 186.25 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,4S,5R,7S)-7-methyl-3-propan-2-yl-6,8-dioxabicyclo[3.2.1]octan-4-ol is sourced from PubChem (CID 177073250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).