(1S,2R,6R)-2-ethyl-4-methylbicyclo[4.1.0]heptane

C10H18 — CID 144517019

IUPAC(1S,2R,6R)-2-ethyl-4-methylbicyclo[4.1.0]heptane
SMILESCC[C@@H]1CC(C)C[C@@H]2C[C@H]12
InChIInChI=1S/C10H18/c1-3-8-4-7(2)5-9-6-10(8)9/h7-10H,3-6H2,1-2H3/t7?,8-,9-,10-/m1/s1
InChIKeyJYWNCOFCDTVDSS-NPTNVHDASA-N
MW138.25 g/mol
LogP3.08
Rot. Bonds1

About (1S,2R,6R)-2-ethyl-4-methylbicyclo[4.1.0]heptane

(1S,2R,6R)-2-ethyl-4-methylbicyclo[4.1.0]heptane (PubChem CID 144517019) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is (1S,2R,6R)-2-ethyl-4-methylbicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(1S,2R,6R)-2-ethyl-4-methylbicyclo[4.1.0]heptane
PubChem CID144517019
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name(1S,2R,6R)-2-ethyl-4-methylbicyclo[4.1.0]heptane
SMILESCC[C@@H]1CC(C)C[C@@H]2C[C@H]12
InChIInChI=1S/C10H18/c1-3-8-4-7(2)5-9-6-10(8)9/h7-10H,3-6H2,1-2H3/t7?,8-,9-,10-/m1/s1
InChIKeyJYWNCOFCDTVDSS-NPTNVHDASA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6-ethyl-3-methylbicyclo[3.2.0]heptane
CID 147399141
1-ethyl-2-methyl-3-(3-methylcyclobutyl)cyclobutane
CID 91436616
(4S)-2-ethyl-4-methylcyclopentan-1-amine
CID 163423682
1,5-diethyl-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 153303896
7-ethyl-4-methylidenetricyclo[6.1.0.03,5]nonane
CID 90755287
1-ethyl-2-fluoro-4-methylcyclopentane
CID 91088664
1-chloro-2-ethyl-4-methylcyclopentane
CID 174663037
3-ethyltricyclo[4.3.1.12,5]undecane
CID 163995336
7-ethyl-5-[7-ethyl-5-[7-ethyl-2-(7-ethyl-2-methyl-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalen-5-yl)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalen-5-yl]-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalen-2-yl]-2-methyl-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalene
CID 164793601
1-chloro-3-ethyl-2,5-dimethylcyclohexane
CID 170272561
3-ethyl-5-methylcyclohexane-1,2-diol
CID 118343814
(2S)-2-ethylbicyclo[2.2.0]hexane
CID 143524617

Frequently Asked Questions

What is the IUPAC name of (1S,2R,6R)-2-ethyl-4-methylbicyclo[4.1.0]heptane?
The IUPAC name of (1S,2R,6R)-2-ethyl-4-methylbicyclo[4.1.0]heptane (CID 144517019) is (1S,2R,6R)-2-ethyl-4-methylbicyclo[4.1.0]heptane.
What is the SMILES notation for (1S,2R,6R)-2-ethyl-4-methylbicyclo[4.1.0]heptane?
The canonical SMILES for (1S,2R,6R)-2-ethyl-4-methylbicyclo[4.1.0]heptane is CC[C@@H]1CC(C)C[C@@H]2C[C@H]12.
What is the InChIKey of (1S,2R,6R)-2-ethyl-4-methylbicyclo[4.1.0]heptane?
The InChIKey is JYWNCOFCDTVDSS-NPTNVHDASA-N. The full InChI is InChI=1S/C10H18/c1-3-8-4-7(2)5-9-6-10(8)9/h7-10H,3-6H2,1-2H3/t7?,8-,9-,10-/m1/s1.
What are the key properties of (1S,2R,6R)-2-ethyl-4-methylbicyclo[4.1.0]heptane?
(1S,2R,6R)-2-ethyl-4-methylbicyclo[4.1.0]heptane has a molecular weight of 138.25 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,6R)-2-ethyl-4-methylbicyclo[4.1.0]heptane is sourced from PubChem (CID 144517019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).