(5S)-4,4,5-trimethylcyclohexene

C9H16 — CID 123287242

IUPAC(5S)-4,4,5-trimethylcyclohexene
SMILESC[C@H]1CC=CCC1(C)C
InChIInChI=1S/C9H16/c1-8-6-4-5-7-9(8,2)3/h4-5,8H,6-7H2,1-3H3/t8-/m0/s1
InChIKeyMERPMDDBDFASEC-QMMMGPOBSA-N
MW124.23 g/mol
LogP3.00
Rot. Bonds

About (5S)-4,4,5-trimethylcyclohexene

(5S)-4,4,5-trimethylcyclohexene (PubChem CID 123287242) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is (5S)-4,4,5-trimethylcyclohexene.

Molecular Properties

Compound Name(5S)-4,4,5-trimethylcyclohexene
PubChem CID123287242
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name(5S)-4,4,5-trimethylcyclohexene
SMILESC[C@H]1CC=CCC1(C)C
InChIInChI=1S/C9H16/c1-8-6-4-5-7-9(8,2)3/h4-5,8H,6-7H2,1-3H3/t8-/m0/s1
InChIKeyMERPMDDBDFASEC-QMMMGPOBSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.00
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

4,5-dimethyl-4-nitrocyclohexene
CID 163844382
(3S)-3,4,4-trimethylcyclopentene
CID 145186041
(4S)-3,3,4-trimethylcyclopentene
CID 148718226
1-[(1R,6S)-1-chloro-6-methylcyclohex-3-en-1-yl]ethanone
CID 131018953
(2S)-1,1,2-trimethylcyclopropane
CID 25022262
3,3,4,4,5-pentamethylcyclohexene
CID 123783117
(2S)-1,1,2-trimethylcyclobutane
CID 59954523
4,4a-dimethyl-2,3,4,5,8,8a-hexahydronaphthalen-1-one
CID 130036798
(4S)-1,4,5,5-tetramethylcyclohexene
CID 145469931
4-aminoiodanuidyl-4,6-dimethylcycloheptene
CID 163437581
(S)-[(1R,6R)-1-(hydroxymethyl)-6-methylcyclohex-3-en-1-yl]-[(1S,6R)-6-methylcyclohex-3-en-1-yl]methanol
CID 124819181
(S)-[(1S,6R)-1-(hydroxymethyl)-6-methylcyclohex-3-en-1-yl]-[(1S,6R)-6-methylcyclohex-3-en-1-yl]methanol
CID 124819183

Frequently Asked Questions

What is the IUPAC name of (5S)-4,4,5-trimethylcyclohexene?
The IUPAC name of (5S)-4,4,5-trimethylcyclohexene (CID 123287242) is (5S)-4,4,5-trimethylcyclohexene.
What is the SMILES notation for (5S)-4,4,5-trimethylcyclohexene?
The canonical SMILES for (5S)-4,4,5-trimethylcyclohexene is C[C@H]1CC=CCC1(C)C.
What is the InChIKey of (5S)-4,4,5-trimethylcyclohexene?
The InChIKey is MERPMDDBDFASEC-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16/c1-8-6-4-5-7-9(8,2)3/h4-5,8H,6-7H2,1-3H3/t8-/m0/s1.
What are the key properties of (5S)-4,4,5-trimethylcyclohexene?
(5S)-4,4,5-trimethylcyclohexene has a molecular weight of 124.23 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4,4,5-trimethylcyclohexene is sourced from PubChem (CID 123287242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).