CID 11229107

C12H17O — CID 11229107

IUPAC—
SMILESCC(C)=CCCC1(C)C=CC=C1[O]
InChIInChI=1S/C12H17O/c1-10(2)6-4-8-12(3)9-5-7-11(12)13/h5-7,9H,4,8H2,1-3H3
InChIKeyPMGAIGZXGDXVKN-UHFFFAOYSA-N
MW177.27 g/mol
LogP3.62
Rot. Bonds3

About CID 11229107

CID 11229107 (PubChem CID 11229107) has the molecular formula C12H17O and a molecular weight of 177.27 g/mol.

Molecular Properties

Compound NameCID 11229107
PubChem CID11229107
Molecular FormulaC12H17O
Molecular Weight177.27 g/mol
Exact Mass177.13
IUPAC Name—
SMILESCC(C)=CCCC1(C)C=CC=C1[O]
InChIInChI=1S/C12H17O/c1-10(2)6-4-8-12(3)9-5-7-11(12)13/h5-7,9H,4,8H2,1-3H3
InChIKeyPMGAIGZXGDXVKN-UHFFFAOYSA-N
XLogP3.62
TPSA19.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 53.62
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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5-methyl-5-(4-methylpent-3-enyl)-2,3-dihydro-1,4-dioxepine
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(4R,5R)-3-acetyl-4,5-dimethyl-4-(4-methylpent-3-enyl)oxolan-2-one
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(2R,3R,6R)-2,3,6-trimethyl-6-(4-methylpent-3-enyl)-2,3-dihydropyran;(2R,3R,6S)-2,3,6-trimethyl-6-(4-methylpent-3-enyl)-2,3-dihydropyran
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(1R,2R,4R,6S,7S)-2,7-dimethyl-7-(4-methylpent-3-enyl)-3-oxatricyclo[4.1.1.02,4]octan-5-one
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Frequently Asked Questions

What is the IUPAC name of CID 11229107?
The IUPAC name of CID 11229107 (CID 11229107) is not available.
What is the SMILES notation for CID 11229107?
The canonical SMILES for CID 11229107 is CC(C)=CCCC1(C)C=CC=C1[O].
What is the InChIKey of CID 11229107?
The InChIKey is PMGAIGZXGDXVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17O/c1-10(2)6-4-8-12(3)9-5-7-11(12)13/h5-7,9H,4,8H2,1-3H3.
What are the key properties of CID 11229107?
CID 11229107 has a molecular weight of 177.27 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11229107 is sourced from PubChem (CID 11229107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).