(1R,5S)-6-methyl-3,6-di(propan-2-yl)bicyclo[3.1.0]hexane

C13H24 — CID 162490749

IUPAC(1R,5S)-6-methyl-3,6-di(propan-2-yl)bicyclo[3.1.0]hexane
SMILESCC(C)C1C[C@@H]2[C@H](C1)C2(C)C(C)C
InChIInChI=1S/C13H24/c1-8(2)10-6-11-12(7-10)13(11,5)9(3)4/h8-12H,6-7H2,1-5H3/t10?,11-,12+,13?
InChIKeyCEWLJZBHVLOPAU-UNTZMWQOSA-N
MW180.33 g/mol
LogP3.96
Rot. Bonds2

About (1R,5S)-6-methyl-3,6-di(propan-2-yl)bicyclo[3.1.0]hexane

(1R,5S)-6-methyl-3,6-di(propan-2-yl)bicyclo[3.1.0]hexane (PubChem CID 162490749) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is (1R,5S)-6-methyl-3,6-di(propan-2-yl)bicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1R,5S)-6-methyl-3,6-di(propan-2-yl)bicyclo[3.1.0]hexane
PubChem CID162490749
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name(1R,5S)-6-methyl-3,6-di(propan-2-yl)bicyclo[3.1.0]hexane
SMILESCC(C)C1C[C@@H]2[C@H](C1)C2(C)C(C)C
InChIInChI=1S/C13H24/c1-8(2)10-6-11-12(7-10)13(11,5)9(3)4/h8-12H,6-7H2,1-5H3/t10?,11-,12+,13?
InChIKeyCEWLJZBHVLOPAU-UNTZMWQOSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4,9-di(propan-2-yl)tricyclo[5.3.0.02,6]decane
CID 156686010
3-propan-2-ylbicyclo[3.1.1]heptane
CID 59796479
4-propan-2-ylcyclopentane-1,2-diol
CID 20608687
2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-indene
CID 19746881
1-ethynyl-3-propan-2-ylcyclobutane
CID 176753100
N-[(1-methylcyclopentyl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103561937
1,2,3,4-tetramethyl-6-propan-2-ylcycloheptane
CID 90791175
(3R,4aS,5R,8aS)-5,8a-dimethyl-3-propan-2-yl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
CID 154723915
2,2,3,3,4,4,5,5-octamethyl-8,10-di(propan-2-yl)-10-azabicyclo[4.3.1]decane
CID 59451216
(2S,6R)-2,6-dimethyl-4-propan-2-ylpiperidine
CID 158604768
1,1,2,3,3-pentamethyl-5-propan-2-ylcyclohexane
CID 140583880
propan-2-ylcyclopropane;hydroiodide
CID 162314014

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-6-methyl-3,6-di(propan-2-yl)bicyclo[3.1.0]hexane?
The IUPAC name of (1R,5S)-6-methyl-3,6-di(propan-2-yl)bicyclo[3.1.0]hexane (CID 162490749) is (1R,5S)-6-methyl-3,6-di(propan-2-yl)bicyclo[3.1.0]hexane.
What is the SMILES notation for (1R,5S)-6-methyl-3,6-di(propan-2-yl)bicyclo[3.1.0]hexane?
The canonical SMILES for (1R,5S)-6-methyl-3,6-di(propan-2-yl)bicyclo[3.1.0]hexane is CC(C)C1C[C@@H]2[C@H](C1)C2(C)C(C)C.
What is the InChIKey of (1R,5S)-6-methyl-3,6-di(propan-2-yl)bicyclo[3.1.0]hexane?
The InChIKey is CEWLJZBHVLOPAU-UNTZMWQOSA-N. The full InChI is InChI=1S/C13H24/c1-8(2)10-6-11-12(7-10)13(11,5)9(3)4/h8-12H,6-7H2,1-5H3/t10?,11-,12+,13?.
What are the key properties of (1R,5S)-6-methyl-3,6-di(propan-2-yl)bicyclo[3.1.0]hexane?
(1R,5S)-6-methyl-3,6-di(propan-2-yl)bicyclo[3.1.0]hexane has a molecular weight of 180.33 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-6-methyl-3,6-di(propan-2-yl)bicyclo[3.1.0]hexane is sourced from PubChem (CID 162490749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).