(4S)-1,4,5,5-tetramethylcyclohexene

C10H18 — CID 145469931

IUPAC(4S)-1,4,5,5-tetramethylcyclohexene
SMILESCC1=CC[C@H](C)C(C)(C)C1
InChIInChI=1S/C10H18/c1-8-5-6-9(2)10(3,4)7-8/h5,9H,6-7H2,1-4H3/t9-/m0/s1
InChIKeySROCHOYOKPQSLF-VIFPVBQESA-N
MW138.25 g/mol
LogP3.39
Rot. Bonds

About (4S)-1,4,5,5-tetramethylcyclohexene

(4S)-1,4,5,5-tetramethylcyclohexene (PubChem CID 145469931) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is (4S)-1,4,5,5-tetramethylcyclohexene.

Molecular Properties

Compound Name(4S)-1,4,5,5-tetramethylcyclohexene
PubChem CID145469931
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name(4S)-1,4,5,5-tetramethylcyclohexene
SMILESCC1=CC[C@H](C)C(C)(C)C1
InChIInChI=1S/C10H18/c1-8-5-6-9(2)10(3,4)7-8/h5,9H,6-7H2,1-4H3/t9-/m0/s1
InChIKeySROCHOYOKPQSLF-VIFPVBQESA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.39
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

2-(4,6,6-trimethylcyclohex-3-en-1-yl)acetaldehyde
CID 15001755
2,3,3,5-tetramethyl-2,4-dihydropyran
CID 174905628
1-iodo-4,5,5-trimethylcyclopentene
CID 134856113
(3R,5S)-4,4,5,8-tetramethyl-1-oxaspiro[2.5]oct-7-ene
CID 57201556
(1R,4aR)-4a,6-dimethyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-1-ol
CID 102119554
(4R,5R)-1,4,5-trimethylcyclohexene
CID 13226239
(5S)-4,4,5-trimethylcyclohexene
CID 123287242
(4aR,8aS)-7,8a-dimethyl-2,3,4,4a,5,8-hexahydronaphthalen-1-one
CID 130978861
(2S)-1,1,2-trimethylcyclopropane
CID 25022262
(5R)-4,5-dichloro-1-methylcyclohexene
CID 118474866
1,4-dimethyl(113C)cyclohexene
CID 11018826
[(1S)-3,5,5-trimethylcyclopent-2-en-1-yl]methanol
CID 167184957

Frequently Asked Questions

What is the IUPAC name of (4S)-1,4,5,5-tetramethylcyclohexene?
The IUPAC name of (4S)-1,4,5,5-tetramethylcyclohexene (CID 145469931) is (4S)-1,4,5,5-tetramethylcyclohexene.
What is the SMILES notation for (4S)-1,4,5,5-tetramethylcyclohexene?
The canonical SMILES for (4S)-1,4,5,5-tetramethylcyclohexene is CC1=CC[C@H](C)C(C)(C)C1.
What is the InChIKey of (4S)-1,4,5,5-tetramethylcyclohexene?
The InChIKey is SROCHOYOKPQSLF-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18/c1-8-5-6-9(2)10(3,4)7-8/h5,9H,6-7H2,1-4H3/t9-/m0/s1.
What are the key properties of (4S)-1,4,5,5-tetramethylcyclohexene?
(4S)-1,4,5,5-tetramethylcyclohexene has a molecular weight of 138.25 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1,4,5,5-tetramethylcyclohexene is sourced from PubChem (CID 145469931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).