(1S,3S,4S,6R)-3-methylbicyclo[4.1.0]heptane-3,4-diol

C8H14O2 — CID 23260997

IUPAC(1S,3S,4S,6R)-3-methylbicyclo[4.1.0]heptane-3,4-diol
SMILESC[C@]1(O)C[C@@H]2C[C@@H]2C[C@@H]1O
InChIInChI=1S/C8H14O2/c1-8(10)4-6-2-5(6)3-7(8)9/h5-7,9-10H,2-4H2,1H3/t5-,6+,7+,8+/m1/s1
InChIKeyGZRSGNYRCQYYFI-KVPKETBZSA-N
MW142.20 g/mol
LogP0.53
Rot. Bonds

About (1S,3S,4S,6R)-3-methylbicyclo[4.1.0]heptane-3,4-diol

(1S,3S,4S,6R)-3-methylbicyclo[4.1.0]heptane-3,4-diol (PubChem CID 23260997) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (1S,3S,4S,6R)-3-methylbicyclo[4.1.0]heptane-3,4-diol.

Molecular Properties

Compound Name(1S,3S,4S,6R)-3-methylbicyclo[4.1.0]heptane-3,4-diol
PubChem CID23260997
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(1S,3S,4S,6R)-3-methylbicyclo[4.1.0]heptane-3,4-diol
SMILESC[C@]1(O)C[C@@H]2C[C@@H]2C[C@@H]1O
InChIInChI=1S/C8H14O2/c1-8(10)4-6-2-5(6)3-7(8)9/h5-7,9-10H,2-4H2,1H3/t5-,6+,7+,8+/m1/s1
InChIKeyGZRSGNYRCQYYFI-KVPKETBZSA-N
XLogP0.53
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,3S,4S,6R)-3-methylbicyclo[4.1.0]heptane-3,4-diol with MolForge

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Related Compounds

(1S,3S,4S,6R)-4-chloro-3-methylbicyclo[4.1.0]heptan-3-ol
CID 23268670
(11S,14S)-3-methylpentacyclo[7.6.2.04,6.011,17.014,16]heptadecan-3-ol
CID 163869940
(2R)-1-methylcyclobutane-1,2-diol
CID 130694777
(1R,3S,5R,7S)-2-methyltricyclo[5.1.0.03,5]octan-2-ol
CID 10011966
(2R,4S,5R)-2-(2,2-dimethyl-1,3-dioxan-5-yl)-4,5-dihydroxy-5-methylcyclohexan-1-one
CID 11637461
(1R,2S,6R,7S,8S)-8-methyltricyclo[5.2.1.02,6]decan-8-ol
CID 124836591
trans-(2R,4R)-1-methyl-4-propan-2-ylcyclohexane-1,2-diol
CID 54292427
3-[(dimethylamino)methyl]bicyclo[3.1.0]hexan-3-ol
CID 144866555
(1R,2S,4R,6S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane-2,6-diol
CID 124526848
9-methylpentacyclo[6.2.1.13,6.01,9.02,7]dodecane
CID 163588261
(1S,2R,4S)-1-methyl-4-prop-1-en-2-ylcyclohexane-1,2-diol
CID 86310295
methyl 3-(trifluoromethyl)bicyclo[3.1.0]hexane-3-carboxylate
CID 175669281

Frequently Asked Questions

What is the IUPAC name of (1S,3S,4S,6R)-3-methylbicyclo[4.1.0]heptane-3,4-diol?
The IUPAC name of (1S,3S,4S,6R)-3-methylbicyclo[4.1.0]heptane-3,4-diol (CID 23260997) is (1S,3S,4S,6R)-3-methylbicyclo[4.1.0]heptane-3,4-diol.
What is the SMILES notation for (1S,3S,4S,6R)-3-methylbicyclo[4.1.0]heptane-3,4-diol?
The canonical SMILES for (1S,3S,4S,6R)-3-methylbicyclo[4.1.0]heptane-3,4-diol is C[C@]1(O)C[C@@H]2C[C@@H]2C[C@@H]1O.
What is the InChIKey of (1S,3S,4S,6R)-3-methylbicyclo[4.1.0]heptane-3,4-diol?
The InChIKey is GZRSGNYRCQYYFI-KVPKETBZSA-N. The full InChI is InChI=1S/C8H14O2/c1-8(10)4-6-2-5(6)3-7(8)9/h5-7,9-10H,2-4H2,1H3/t5-,6+,7+,8+/m1/s1.
What are the key properties of (1S,3S,4S,6R)-3-methylbicyclo[4.1.0]heptane-3,4-diol?
(1S,3S,4S,6R)-3-methylbicyclo[4.1.0]heptane-3,4-diol has a molecular weight of 142.20 g/mol, XLogP of 0.53, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,4S,6R)-3-methylbicyclo[4.1.0]heptane-3,4-diol is sourced from PubChem (CID 23260997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).