(1R,2R,5S,6S)-2-methyl-6-propylbicyclo[3.1.0]hexane

C10H18 — CID 58708477

IUPAC(1R,2R,5S,6S)-2-methyl-6-propylbicyclo[3.1.0]hexane
SMILESCCC[C@H]1[C@@H]2CC[C@@H](C)[C@H]12
InChIInChI=1S/C10H18/c1-3-4-8-9-6-5-7(2)10(8)9/h7-10H,3-6H2,1-2H3/t7-,8+,9+,10-/m1/s1
InChIKeyFFGPCQHUSBYDCE-XFWSIPNHSA-N
MW138.25 g/mol
LogP3.08
Rot. Bonds2

About (1R,2R,5S,6S)-2-methyl-6-propylbicyclo[3.1.0]hexane

(1R,2R,5S,6S)-2-methyl-6-propylbicyclo[3.1.0]hexane (PubChem CID 58708477) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is (1R,2R,5S,6S)-2-methyl-6-propylbicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1R,2R,5S,6S)-2-methyl-6-propylbicyclo[3.1.0]hexane
PubChem CID58708477
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name(1R,2R,5S,6S)-2-methyl-6-propylbicyclo[3.1.0]hexane
SMILESCCC[C@H]1[C@@H]2CC[C@@H](C)[C@H]12
InChIInChI=1S/C10H18/c1-3-4-8-9-6-5-7(2)10(8)9/h7-10H,3-6H2,1-2H3/t7-,8+,9+,10-/m1/s1
InChIKeyFFGPCQHUSBYDCE-XFWSIPNHSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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

(1R)-1-methyl-2,3-dipropylcyclopentane
CID 168721749
2-methyl-5-[(1R)-2-propylcyclobutyl]bicyclo[4.2.0]octane
CID 163492978
2,5-dimethyl-3-propylbicyclo[2.2.0]hexane
CID 91214227
1,3-dimethyl-2-propylcycloheptane
CID 123611013
1,3-dimethyl-5-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 59893526
1-methyl-3-propan-2-yl-2-propylcyclopentane
CID 123480438
3-ethyl-1-hexyl-4-methyl-2-propylcyclohexane
CID 123913316
3-methyl-2,4-dipropylbicyclo[3.1.0]hexane
CID 21354381
1-ethyl-4-propyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 167543521
2-methyl-1,3-dipropylcyclopentane
CID 90887551
1,2,4,5,6,7-hexamethyl-3-propyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene
CID 59116018
4-ethyl-2-methyl-11-propan-2-yl-12-propyltricyclo[6.4.0.03,5]dodecane
CID 91442066

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5S,6S)-2-methyl-6-propylbicyclo[3.1.0]hexane?
The IUPAC name of (1R,2R,5S,6S)-2-methyl-6-propylbicyclo[3.1.0]hexane (CID 58708477) is (1R,2R,5S,6S)-2-methyl-6-propylbicyclo[3.1.0]hexane.
What is the SMILES notation for (1R,2R,5S,6S)-2-methyl-6-propylbicyclo[3.1.0]hexane?
The canonical SMILES for (1R,2R,5S,6S)-2-methyl-6-propylbicyclo[3.1.0]hexane is CCC[C@H]1[C@@H]2CC[C@@H](C)[C@H]12.
What is the InChIKey of (1R,2R,5S,6S)-2-methyl-6-propylbicyclo[3.1.0]hexane?
The InChIKey is FFGPCQHUSBYDCE-XFWSIPNHSA-N. The full InChI is InChI=1S/C10H18/c1-3-4-8-9-6-5-7(2)10(8)9/h7-10H,3-6H2,1-2H3/t7-,8+,9+,10-/m1/s1.
What are the key properties of (1R,2R,5S,6S)-2-methyl-6-propylbicyclo[3.1.0]hexane?
(1R,2R,5S,6S)-2-methyl-6-propylbicyclo[3.1.0]hexane has a molecular weight of 138.25 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5S,6S)-2-methyl-6-propylbicyclo[3.1.0]hexane is sourced from PubChem (CID 58708477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).