1-[(2R,5S)-2,5-bis(ethenyl)-1-methylcyclopentyl]propan-2-ol

C13H22O — CID 135036759

IUPAC1-[(2R,5S)-2,5-bis(ethenyl)-1-methylcyclopentyl]propan-2-ol
SMILESC=C[C@@H]1CC[C@H](C=C)C1(C)CC(C)O
InChIInChI=1S/C13H22O/c1-5-11-7-8-12(6-2)13(11,4)9-10(3)14/h5-6,10-12,14H,1-2,7-9H2,3-4H3/t10?,11-,12+,13?
InChIKeyMQTYMKXPWYTCJE-UNTZMWQOSA-N
MW194.32 g/mol
LogP3.16
Rot. Bonds4

About 1-[(2R,5S)-2,5-bis(ethenyl)-1-methylcyclopentyl]propan-2-ol

1-[(2R,5S)-2,5-bis(ethenyl)-1-methylcyclopentyl]propan-2-ol (PubChem CID 135036759) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-[(2R,5S)-2,5-bis(ethenyl)-1-methylcyclopentyl]propan-2-ol.

Molecular Properties

Compound Name1-[(2R,5S)-2,5-bis(ethenyl)-1-methylcyclopentyl]propan-2-ol
PubChem CID135036759
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name1-[(2R,5S)-2,5-bis(ethenyl)-1-methylcyclopentyl]propan-2-ol
SMILESC=C[C@@H]1CC[C@H](C=C)C1(C)CC(C)O
InChIInChI=1S/C13H22O/c1-5-11-7-8-12(6-2)13(11,4)9-10(3)14/h5-6,10-12,14H,1-2,7-9H2,3-4H3/t10?,11-,12+,13?
InChIKeyMQTYMKXPWYTCJE-UNTZMWQOSA-N
XLogP3.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(1R,3R)-2,2,3-trimethyl-4-methylidenecyclopentyl]methanol
CID 10920731
(1R,5R,10R)-1,8-dimethyl-4-propan-2-ylidenespiro[4.5]dec-7-en-10-ol
CID 15894372
[(2S,3aS,7aS)-3,3,4,4,7a-pentamethyl-1,2,3a,7-tetrahydroinden-2-yl]methanol
CID 163024518
[(2S,3aS,7aR)-3,3,4,4,7a-pentamethyl-1,2,3a,5-tetrahydroinden-2-yl]methanol
CID 163034936
[(3aS,6aR)-1-ethenyl-5,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl]methanol
CID 14608168
(1R,2S,3R,5R)-3-propan-2-yl-3-prop-2-enylbicyclo[3.1.0]hexan-2-ol
CID 102076031
(1R,2R)-2-(1,2-Dimethyl-3-methylenecyclopentyl)ethanol
CID 162420337
2-[(1S,2S)-1,2-Dimethyl-3-methylenecyclopentyl]ethan-1-ol
CID 162420349
8-Hydroxymethylcamphen
CID 21159524
6,8,8-Trimethylnon-1-en-4-ol
CID 88756750
[(3aS,7aS)-3,3,4,4,7a-pentamethyl-1,2,3a,7-tetrahydroinden-2-yl]methanol
CID 71596600
1-(2-Methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanol
CID 6617446

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5S)-2,5-bis(ethenyl)-1-methylcyclopentyl]propan-2-ol?
The IUPAC name of 1-[(2R,5S)-2,5-bis(ethenyl)-1-methylcyclopentyl]propan-2-ol (CID 135036759) is 1-[(2R,5S)-2,5-bis(ethenyl)-1-methylcyclopentyl]propan-2-ol.
What is the SMILES notation for 1-[(2R,5S)-2,5-bis(ethenyl)-1-methylcyclopentyl]propan-2-ol?
The canonical SMILES for 1-[(2R,5S)-2,5-bis(ethenyl)-1-methylcyclopentyl]propan-2-ol is C=C[C@@H]1CC[C@H](C=C)C1(C)CC(C)O.
What is the InChIKey of 1-[(2R,5S)-2,5-bis(ethenyl)-1-methylcyclopentyl]propan-2-ol?
The InChIKey is MQTYMKXPWYTCJE-UNTZMWQOSA-N. The full InChI is InChI=1S/C13H22O/c1-5-11-7-8-12(6-2)13(11,4)9-10(3)14/h5-6,10-12,14H,1-2,7-9H2,3-4H3/t10?,11-,12+,13?.
What are the key properties of 1-[(2R,5S)-2,5-bis(ethenyl)-1-methylcyclopentyl]propan-2-ol?
1-[(2R,5S)-2,5-bis(ethenyl)-1-methylcyclopentyl]propan-2-ol has a molecular weight of 194.32 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5S)-2,5-bis(ethenyl)-1-methylcyclopentyl]propan-2-ol is sourced from PubChem (CID 135036759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).