(4R,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4R,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;methane

C48H96 — CID 159750866

IUPAC(4R,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4R,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;methane
SMILESC.C.C.C.CC1=CC[C@@H](C(C)C)[C@@H](C)C1.CC1=CC[C@@H](C(C)C)[C@H](C)C1.CC1=CC[C@H](C(C)C)[C@@H](C)C1.CC1=CC[C@H](C(C)C)[C@H](C)C1
InChIInChI=1S/4C11H20.4CH4/c4*1-8(2)11-6-5-9(3)7-10(11)4;;;;/h4*5,8,10-11H,6-7H2,1-4H3;4*1H4/t2*10-,11+;2*10-,11-;;;;/m1010..../s1
InChIKeyNDQAYMUQHPNHIG-LEZWIBLSSA-N
MW673.30 g/mol
LogP17.08
Rot. Bonds4

About (4R,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4R,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;methane

(4R,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4R,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;methane (PubChem CID 159750866) has the molecular formula C48H96 and a molecular weight of 673.30 g/mol. Its IUPAC name is (4R,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4R,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;methane.

Molecular Properties

Compound Name(4R,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4R,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;methane
PubChem CID159750866
Molecular FormulaC48H96
Molecular Weight673.30 g/mol
Exact Mass672.75
IUPAC Name(4R,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4R,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;methane
SMILESC.C.C.C.CC1=CC[C@@H](C(C)C)[C@@H](C)C1.CC1=CC[C@@H](C(C)C)[C@H](C)C1.CC1=CC[C@H](C(C)C)[C@@H](C)C1.CC1=CC[C@H](C(C)C)[C@H](C)C1
InChIInChI=1S/4C11H20.4CH4/c4*1-8(2)11-6-5-9(3)7-10(11)4;;;;/h4*5,8,10-11H,6-7H2,1-4H3;4*1H4/t2*10-,11+;2*10-,11-;;;;/m1010..../s1
InChIKeyNDQAYMUQHPNHIG-LEZWIBLSSA-N
XLogP17.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.30
LogP ≤ 517.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (4R,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4R,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4R,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;methane?
The IUPAC name of (4R,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4R,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;methane (CID 159750866) is (4R,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4R,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;methane.
What is the SMILES notation for (4R,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4R,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;methane?
The canonical SMILES for (4R,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4R,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;methane is C.C.C.C.CC1=CC[C@@H](C(C)C)[C@@H](C)C1.CC1=CC[C@@H](C(C)C)[C@H](C)C1.CC1=CC[C@H](C(C)C)[C@@H](C)C1.CC1=CC[C@H](C(C)C)[C@H](C)C1.
What is the InChIKey of (4R,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4R,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;methane?
The InChIKey is NDQAYMUQHPNHIG-LEZWIBLSSA-N. The full InChI is InChI=1S/4C11H20.4CH4/c4*1-8(2)11-6-5-9(3)7-10(11)4;;;;/h4*5,8,10-11H,6-7H2,1-4H3;4*1H4/t2*10-,11+;2*10-,11-;;;;/m1010..../s1.
What are the key properties of (4R,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4R,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;methane?
(4R,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4R,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;methane has a molecular weight of 673.30 g/mol, XLogP of 17.08, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4R,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;methane is sourced from PubChem (CID 159750866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).