(3S,5S)-1,3,4,4,5-pentamethylcyclopentene

C10H18 — CID 174108193

IUPAC(3S,5S)-1,3,4,4,5-pentamethylcyclopentene
SMILESCC1=C[C@H](C)C(C)(C)[C@H]1C
InChIInChI=1S/C10H18/c1-7-6-8(2)10(4,5)9(7)3/h6,8-9H,1-5H3/t8-,9-/m0/s1
InChIKeyHMWPAMIWWZWJQM-IUCAKERBSA-N
MW138.25 g/mol
LogP3.24
Rot. Bonds

About (3S,5S)-1,3,4,4,5-pentamethylcyclopentene

(3S,5S)-1,3,4,4,5-pentamethylcyclopentene (PubChem CID 174108193) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is (3S,5S)-1,3,4,4,5-pentamethylcyclopentene.

Molecular Properties

Compound Name(3S,5S)-1,3,4,4,5-pentamethylcyclopentene
PubChem CID174108193
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name(3S,5S)-1,3,4,4,5-pentamethylcyclopentene
SMILESCC1=C[C@H](C)C(C)(C)[C@H]1C
InChIInChI=1S/C10H18/c1-7-6-8(2)10(4,5)9(7)3/h6,8-9H,1-5H3/t8-,9-/m0/s1
InChIKeyHMWPAMIWWZWJQM-IUCAKERBSA-N
XLogP3.24
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 ≤ 53.24
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

[(1S,4S)-3,4,5,5-tetramethylcyclopent-2-en-1-yl]methyl acetate
CID 91748887
(1S,2S,5S)-6,6-difluoro-3,5-dimethylcyclohex-3-ene-1,2-diol
CID 134856355
(1R,3S,6R)-4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-ol
CID 124556662
(6S)-1,5,5,6-tetramethylcyclohexene
CID 11768696
1-(3-bromo-2,5-dimethyl-3H-furan-2-yl)ethanol
CID 154355573
1,3,4,6-tetramethylcyclohex-4-ene-1,3-diamine
CID 66701661
1,4,6-trimethylcyclohexa-2,4-dien-1-amine
CID 68727939
(2R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-en-11-one
CID 134965033
(1R,2R,5S)-2,4-dimethyl-7-oxo-6-oxabicyclo[3.2.1]oct-3-ene-1,8,8-tricarbonitrile
CID 177392826
2,3,4,5-tetramethylcyclohexa-1,5-diene-1,4-diamine
CID 69333646
(5S)-1,5-dimethyl-3-(1-methylcyclopropyl)cyclopenta-1,3-diene
CID 153389792
(1S,2R,5R,8R)-2,6,10,10-tetramethyltricyclo[6.3.0.01,5]undec-6-ene
CID 12772484

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-1,3,4,4,5-pentamethylcyclopentene?
The IUPAC name of (3S,5S)-1,3,4,4,5-pentamethylcyclopentene (CID 174108193) is (3S,5S)-1,3,4,4,5-pentamethylcyclopentene.
What is the SMILES notation for (3S,5S)-1,3,4,4,5-pentamethylcyclopentene?
The canonical SMILES for (3S,5S)-1,3,4,4,5-pentamethylcyclopentene is CC1=C[C@H](C)C(C)(C)[C@H]1C.
What is the InChIKey of (3S,5S)-1,3,4,4,5-pentamethylcyclopentene?
The InChIKey is HMWPAMIWWZWJQM-IUCAKERBSA-N. The full InChI is InChI=1S/C10H18/c1-7-6-8(2)10(4,5)9(7)3/h6,8-9H,1-5H3/t8-,9-/m0/s1.
What are the key properties of (3S,5S)-1,3,4,4,5-pentamethylcyclopentene?
(3S,5S)-1,3,4,4,5-pentamethylcyclopentene has a molecular weight of 138.25 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-1,3,4,4,5-pentamethylcyclopentene is sourced from PubChem (CID 174108193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).