(3R)-2,3,5-trimethyl-4-methylidenehexane

C10H20 — CID 58859453

IUPAC(3R)-2,3,5-trimethyl-4-methylidenehexane
SMILESC=C(C(C)C)[C@H](C)C(C)C
InChIInChI=1S/C10H20/c1-7(2)9(5)10(6)8(3)4/h7-8,10H,5H2,1-4,6H3/t10-/m1/s1
InChIKeyCCWYQEJCLBJJFU-SNVBAGLBSA-N
MW140.27 g/mol
LogP3.49
Rot. Bonds3

About (3R)-2,3,5-trimethyl-4-methylidenehexane

(3R)-2,3,5-trimethyl-4-methylidenehexane (PubChem CID 58859453) has the molecular formula C10H20 and a molecular weight of 140.27 g/mol. Its IUPAC name is (3R)-2,3,5-trimethyl-4-methylidenehexane.

Molecular Properties

Compound Name(3R)-2,3,5-trimethyl-4-methylidenehexane
PubChem CID58859453
Molecular FormulaC10H20
Molecular Weight140.27 g/mol
Exact Mass140.16
IUPAC Name(3R)-2,3,5-trimethyl-4-methylidenehexane
SMILESC=C(C(C)C)[C@H](C)C(C)C
InChIInChI=1S/C10H20/c1-7(2)9(5)10(6)8(3)4/h7-8,10H,5H2,1-4,6H3/t10-/m1/s1
InChIKeyCCWYQEJCLBJJFU-SNVBAGLBSA-N
XLogP3.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.27
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

N,3,5-trimethyl-4-methylidene-N-propan-2-ylhexan-2-amine
CID 139294846
6-ethyl-2,4,5-trimethyl-3-methylideneoctane
CID 123704785
3-methylbutane-2-thione;(3S)-2,3,4-trimethylpent-1-ene
CID 163218774
N,3,5-trimethyl-4-methylidene-N-(4-methylpent-1-yn-3-yl)hexan-2-amine
CID 166809533
2,3-dimethylbutane;bis(2,3-dimethylbut-1-ene)
CID 158413804
2,4-dimethyl-3-methylidenehexane
CID 90734956
2,3-dimethyl-4-methylideneheptane
CID 123725003
(2R,3S,5R)-3,5,6,6-tetramethyl-4-methylideneheptan-2-ol
CID 124933373
2,5,6-trimethylhept-1-en-4-one
CID 115780430
acetylene;2-methylbutane;(3S)-2,3,4-trimethylpent-1-ene
CID 163218839
4-chloro-2-methyl-3-methylideneheptane
CID 56988326
(1S)-1-cyclopropyl-3-methyl-2-methylidenebutan-1-amine
CID 58309893

Frequently Asked Questions

What is the IUPAC name of (3R)-2,3,5-trimethyl-4-methylidenehexane?
The IUPAC name of (3R)-2,3,5-trimethyl-4-methylidenehexane (CID 58859453) is (3R)-2,3,5-trimethyl-4-methylidenehexane.
What is the SMILES notation for (3R)-2,3,5-trimethyl-4-methylidenehexane?
The canonical SMILES for (3R)-2,3,5-trimethyl-4-methylidenehexane is C=C(C(C)C)[C@H](C)C(C)C.
What is the InChIKey of (3R)-2,3,5-trimethyl-4-methylidenehexane?
The InChIKey is CCWYQEJCLBJJFU-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H20/c1-7(2)9(5)10(6)8(3)4/h7-8,10H,5H2,1-4,6H3/t10-/m1/s1.
What are the key properties of (3R)-2,3,5-trimethyl-4-methylidenehexane?
(3R)-2,3,5-trimethyl-4-methylidenehexane has a molecular weight of 140.27 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,3,5-trimethyl-4-methylidenehexane is sourced from PubChem (CID 58859453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).