CID 101002355

C12H17O — CID 101002355

IUPAC—
SMILESCC1=CC2C(CC1)C1CCC[C@@]21[O]
InChIInChI=1S/C12H17O/c1-8-4-5-9-10-3-2-6-12(10,13)11(9)7-8/h7,9-11H,2-6H2,1H3/t9?,10?,11?,12-/m0/s1
InChIKeyYRCYMKNLZDSYFA-ROAFRPBMSA-N
MW177.27 g/mol
LogP2.94
Rot. Bonds

About CID 101002355

CID 101002355 (PubChem CID 101002355) has the molecular formula C12H17O and a molecular weight of 177.27 g/mol.

Molecular Properties

Compound NameCID 101002355
PubChem CID101002355
Molecular FormulaC12H17O
Molecular Weight177.27 g/mol
Exact Mass177.13
IUPAC Name—
SMILESCC1=CC2C(CC1)C1CCC[C@@]21[O]
InChIInChI=1S/C12H17O/c1-8-4-5-9-10-3-2-6-12(10,13)11(9)7-8/h7,9-11H,2-6H2,1H3/t9?,10?,11?,12-/m0/s1
InChIKeyYRCYMKNLZDSYFA-ROAFRPBMSA-N
XLogP2.94
TPSA19.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 52.94
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,4aS,8aS)-4,7-dimethyl-1-propan-2-yl-3,4,4a,5,6,8a-hexahydro-2H-naphthalen-1-ol
CID 162911618
acetyl acetate;3,7,7-trimethylbicyclo[4.1.0]hept-2-ene
CID 174696157
(1R,6S)-8-bromo-3,6-dimethylbicyclo[4.2.0]oct-2-en-7-one
CID 11990875
(1S,2E,6E)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene
CID 164666823
(4aS,6R,9aR)-2,6,9,9-tetramethyl-4,4a,6,7,8,9a-hexahydro-3H-benzo[7]annulen-5-one
CID 11053192
3,7,11,11-tetramethylbicyclo[8.1.0]undec-2-ene
CID 162801028
4,7-dimethyl-1-propan-2-yl-3,4,4a,5,6,8a-hexahydro-2H-naphthalene-1,2-diol
CID 163016977
(1R,2Z,6E,10R)-3,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene
CID 162901796
[(1R,4R,6E,10S)-3,7,11,11-tetramethyl-4-bicyclo[8.1.0]undeca-2,6-dienyl] acetate
CID 163185387
6,10,13-trimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
CID 12769530
(4aS,6S,9aR)-2,6,9,9-tetramethyl-5-methylidene-4,4a,6,7,8,9a-hexahydro-3H-benzo[7]annulene
CID 11241437
(3S,3aR,7aS)-3,6-dimethyl-3a,4,5,7a-tetrahydro-3H-1-benzofuran-2-one
CID 10511262

Frequently Asked Questions

What is the IUPAC name of CID 101002355?
The IUPAC name of CID 101002355 (CID 101002355) is not available.
What is the SMILES notation for CID 101002355?
The canonical SMILES for CID 101002355 is CC1=CC2C(CC1)C1CCC[C@@]21[O].
What is the InChIKey of CID 101002355?
The InChIKey is YRCYMKNLZDSYFA-ROAFRPBMSA-N. The full InChI is InChI=1S/C12H17O/c1-8-4-5-9-10-3-2-6-12(10,13)11(9)7-8/h7,9-11H,2-6H2,1H3/t9?,10?,11?,12-/m0/s1.
What are the key properties of CID 101002355?
CID 101002355 has a molecular weight of 177.27 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101002355 is sourced from PubChem (CID 101002355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).