(3R,4R)-3,4-dimethylcycloocta-1,5-diene

C10H16 — CID 129383569

IUPAC(3R,4R)-3,4-dimethylcycloocta-1,5-diene
SMILESC[C@@H]1C=CCCC=C[C@H]1C
InChIInChI=1S/C10H16/c1-9-7-5-3-4-6-8-10(9)2/h5-10H,3-4H2,1-2H3/t9-,10-/m1/s1
InChIKeySAOXWIPRWNIEIH-NXEZZACHSA-N
MW136.24 g/mol
LogP3.16
Rot. Bonds

About (3R,4R)-3,4-dimethylcycloocta-1,5-diene

(3R,4R)-3,4-dimethylcycloocta-1,5-diene (PubChem CID 129383569) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is (3R,4R)-3,4-dimethylcycloocta-1,5-diene.

Molecular Properties

Compound Name(3R,4R)-3,4-dimethylcycloocta-1,5-diene
PubChem CID129383569
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name(3R,4R)-3,4-dimethylcycloocta-1,5-diene
SMILESC[C@@H]1C=CCCC=C[C@H]1C
InChIInChI=1S/C10H16/c1-9-7-5-3-4-6-8-10(9)2/h5-10H,3-4H2,1-2H3/t9-,10-/m1/s1
InChIKeySAOXWIPRWNIEIH-NXEZZACHSA-N
XLogP3.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.16
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

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(1R,2R)-2-methylcyclohex-3-ene-1-carbonitrile
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[(1R,2S)-2-methylcyclohex-3-en-1-yl]methanamine
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(4S)-3,4-dimethylcyclopentene
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(3S)-3-methylcyclopentene
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(3R,4S)-4-[(1S)-cyclopent-2-en-1-yl]-3-methylcyclopentene
CID 156740514
1-(2-methylcyclohex-3-en-1-yl)ethanone
CID 14493390
4-(2,2-dimethylpropyl)-3-methylcyclohexene
CID 59984603
2-methylcyclohex-3-ene-1-carbonyl chloride
CID 45081350
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3-methyl-4-prop-2-enylcyclohexene
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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3,4-dimethylcycloocta-1,5-diene?
The IUPAC name of (3R,4R)-3,4-dimethylcycloocta-1,5-diene (CID 129383569) is (3R,4R)-3,4-dimethylcycloocta-1,5-diene.
What is the SMILES notation for (3R,4R)-3,4-dimethylcycloocta-1,5-diene?
The canonical SMILES for (3R,4R)-3,4-dimethylcycloocta-1,5-diene is C[C@@H]1C=CCCC=C[C@H]1C.
What is the InChIKey of (3R,4R)-3,4-dimethylcycloocta-1,5-diene?
The InChIKey is SAOXWIPRWNIEIH-NXEZZACHSA-N. The full InChI is InChI=1S/C10H16/c1-9-7-5-3-4-6-8-10(9)2/h5-10H,3-4H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of (3R,4R)-3,4-dimethylcycloocta-1,5-diene?
(3R,4R)-3,4-dimethylcycloocta-1,5-diene has a molecular weight of 136.24 g/mol, XLogP of 3.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3,4-dimethylcycloocta-1,5-diene is sourced from PubChem (CID 129383569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).