(5R)-5-propan-2-ylcyclohexa-1,3-diene

C9H14 — CID 134896176

IUPAC(5R)-5-propan-2-ylcyclohexa-1,3-diene
SMILESCC(C)[C@@H]1C=CC=CC1
InChIInChI=1S/C9H14/c1-8(2)9-6-4-3-5-7-9/h3-6,8-9H,7H2,1-2H3/t9-/m1/s1
InChIKeyVXIBOZDOTNVUEQ-SECBINFHSA-N
MW122.21 g/mol
LogP2.77
Rot. Bonds1

About (5R)-5-propan-2-ylcyclohexa-1,3-diene

(5R)-5-propan-2-ylcyclohexa-1,3-diene (PubChem CID 134896176) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is (5R)-5-propan-2-ylcyclohexa-1,3-diene.

Molecular Properties

Compound Name(5R)-5-propan-2-ylcyclohexa-1,3-diene
PubChem CID134896176
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name(5R)-5-propan-2-ylcyclohexa-1,3-diene
SMILESCC(C)[C@@H]1C=CC=CC1
InChIInChI=1S/C9H14/c1-8(2)9-6-4-3-5-7-9/h3-6,8-9H,7H2,1-2H3/t9-/m1/s1
InChIKeyVXIBOZDOTNVUEQ-SECBINFHSA-N
XLogP2.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(3S)-3-cyclohexa-2,4-dien-1-ylbutan-2-one
CID 143361819
hydroxy-methylidene-oxo-pentyl-λ6-sulfane;5-propan-2-ylcyclohexa-1,3-diene
CID 142978551
5-(3-methylhexan-2-yl)cyclohexa-1,3-diene
CID 91301373
methane;5-pent-3-en-2-ylcyclohexa-1,3-diene;propane
CID 144517685
(1S)-1-cyclohexa-2,4-dien-1-yl-2-(methylamino)ethanol
CID 89001496
5-(1-ethenoxypropan-2-yl)cyclohexa-1,3-diene
CID 163916851
N-[(1S,2R)-1-cyclohexa-2,4-dien-1-yl-1-hydroxypropan-2-yl]formamide
CID 155055512
5-[(3S)-2-methylpent-1-en-3-yl]cyclohexa-1,3-diene
CID 143361604
3-cyclohexa-2,4-dien-1-yl-3-(methylamino)propanoic acid
CID 145086383
5-propan-2-ylsulfanylcyclohexa-1,3-diene
CID 173165448
cyclohexa-2,4-diene-1-thiol
CID 18734712
[cyclohexa-2,4-dien-1-yl(iodo)methyl]benzene
CID 89349773

Frequently Asked Questions

What is the IUPAC name of (5R)-5-propan-2-ylcyclohexa-1,3-diene?
The IUPAC name of (5R)-5-propan-2-ylcyclohexa-1,3-diene (CID 134896176) is (5R)-5-propan-2-ylcyclohexa-1,3-diene.
What is the SMILES notation for (5R)-5-propan-2-ylcyclohexa-1,3-diene?
The canonical SMILES for (5R)-5-propan-2-ylcyclohexa-1,3-diene is CC(C)[C@@H]1C=CC=CC1.
What is the InChIKey of (5R)-5-propan-2-ylcyclohexa-1,3-diene?
The InChIKey is VXIBOZDOTNVUEQ-SECBINFHSA-N. The full InChI is InChI=1S/C9H14/c1-8(2)9-6-4-3-5-7-9/h3-6,8-9H,7H2,1-2H3/t9-/m1/s1.
What are the key properties of (5R)-5-propan-2-ylcyclohexa-1,3-diene?
(5R)-5-propan-2-ylcyclohexa-1,3-diene has a molecular weight of 122.21 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-propan-2-ylcyclohexa-1,3-diene is sourced from PubChem (CID 134896176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).