cis-(1S,3R)-3-(2-methoxyethyl)-2,2-dimethyl-5-methylidenecyclopentan-1-ol

C11H20O2 — CID 15348633

IUPACcis-(1S,3R)-3-(2-methoxyethyl)-2,2-dimethyl-5-methylidenecyclopentan-1-ol
SMILESC=C1C[C@H](CCOC)C(C)(C)[C@H]1O
InChIInChI=1S/C11H20O2/c1-8-7-9(5-6-13-4)11(2,3)10(8)12/h9-10,12H,1,5-7H2,2-4H3/t9-,10-/m0/s1
InChIKeyVGYMPFKBFPBVQD-UWVGGRQHSA-N
MW184.28 g/mol
LogP1.99
Rot. Bonds3

About cis-(1S,3R)-3-(2-methoxyethyl)-2,2-dimethyl-5-methylidenecyclopentan-1-ol

cis-(1S,3R)-3-(2-methoxyethyl)-2,2-dimethyl-5-methylidenecyclopentan-1-ol (PubChem CID 15348633) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is cis-(1S,3R)-3-(2-methoxyethyl)-2,2-dimethyl-5-methylidenecyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1S,3R)-3-(2-methoxyethyl)-2,2-dimethyl-5-methylidenecyclopentan-1-ol
PubChem CID15348633
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Namecis-(1S,3R)-3-(2-methoxyethyl)-2,2-dimethyl-5-methylidenecyclopentan-1-ol
SMILESC=C1C[C@H](CCOC)C(C)(C)[C@H]1O
InChIInChI=1S/C11H20O2/c1-8-7-9(5-6-13-4)11(2,3)10(8)12/h9-10,12H,1,5-7H2,2-4H3/t9-,10-/m0/s1
InChIKeyVGYMPFKBFPBVQD-UWVGGRQHSA-N
XLogP1.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Hydroxypropan-2-yl)-3a-methyl-6,10-bis(methylene)tetradecahydrocyclopenta[11]annulene-5,9-diol
CID 51136415
Chokol B
CID 181329
2b-Hydroxytrichoacorenol
CID 139583466
11-Cycloneren-3,7,10-triol
CID 139590989
Nigrosirpexin C
CID 156581089
(1R,2S,3R)-3-[(5R)-5-hydroxy-6-methylhepta-1,6-dien-2-yl]-1,2-dimethylcyclopentan-1-ol
CID 163006305
(1R,3R,3aS,6R,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,3a,4,6,7,8-octahydroazulene-1,6-diol
CID 10354118
trans-(1S,2R)-2-[(2S)-4-hydroxybutan-2-yl]-4,4-dimethyl-2-prop-2-enylcyclopentan-1-ol
CID 134860985
cis-(1R,2R)-2-[(2S)-4-hydroxybutan-2-yl]-4,4-dimethyl-2-prop-2-enylcyclopentan-1-ol
CID 134861047
(1R,2S,3R)-2-[(3S)-3-hydroxy-2,2-dimethylpent-4-enyl]-1-methyl-3-prop-1-en-2-ylcyclopentan-1-ol
CID 135071679
(1r,2r,4s,5r,7s)-4-Isopropyl-1,8-dimethylspiro[4.5]dec-8-ene-2,7-diol
CID 139207830
(1R,2S,3R)-3-(5-hydroxy-6-methylhepta-1,6-dien-2-yl)-1,2-dimethylcyclopentan-1-ol
CID 11831495

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-(2-methoxyethyl)-2,2-dimethyl-5-methylidenecyclopentan-1-ol?
The IUPAC name of cis-(1S,3R)-3-(2-methoxyethyl)-2,2-dimethyl-5-methylidenecyclopentan-1-ol (CID 15348633) is cis-(1S,3R)-3-(2-methoxyethyl)-2,2-dimethyl-5-methylidenecyclopentan-1-ol.
What is the SMILES notation for cis-(1S,3R)-3-(2-methoxyethyl)-2,2-dimethyl-5-methylidenecyclopentan-1-ol?
The canonical SMILES for cis-(1S,3R)-3-(2-methoxyethyl)-2,2-dimethyl-5-methylidenecyclopentan-1-ol is C=C1C[C@H](CCOC)C(C)(C)[C@H]1O.
What is the InChIKey of cis-(1S,3R)-3-(2-methoxyethyl)-2,2-dimethyl-5-methylidenecyclopentan-1-ol?
The InChIKey is VGYMPFKBFPBVQD-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H20O2/c1-8-7-9(5-6-13-4)11(2,3)10(8)12/h9-10,12H,1,5-7H2,2-4H3/t9-,10-/m0/s1.
What are the key properties of cis-(1S,3R)-3-(2-methoxyethyl)-2,2-dimethyl-5-methylidenecyclopentan-1-ol?
cis-(1S,3R)-3-(2-methoxyethyl)-2,2-dimethyl-5-methylidenecyclopentan-1-ol has a molecular weight of 184.28 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-(2-methoxyethyl)-2,2-dimethyl-5-methylidenecyclopentan-1-ol is sourced from PubChem (CID 15348633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).