(1R,2S,3R)-2-[(3S)-3-hydroxy-2,2-dimethylpent-4-enyl]-1-methyl-3-prop-1-en-2-ylcyclopentan-1-ol

C16H28O2 — CID 135071679

IUPAC(1R,2S,3R)-2-[(3S)-3-hydroxy-2,2-dimethylpent-4-enyl]-1-methyl-3-prop-1-en-2-ylcyclopentan-1-ol
SMILESC=C[C@H](O)C(C)(C)C[C@H]1[C@H](C(=C)C)CC[C@@]1(C)O
InChIInChI=1S/C16H28O2/c1-7-14(17)15(4,5)10-13-12(11(2)3)8-9-16(13,6)18/h7,12-14,17-18H,1-2,8-10H2,3-6H3/t12-,13-,14-,16+/m0/s1
InChIKeyCNGGFNXAWSDPBN-RZLSGREXSA-N
MW252.40 g/mol
LogP3.30
Rot. Bonds5

About (1R,2S,3R)-2-[(3S)-3-hydroxy-2,2-dimethylpent-4-enyl]-1-methyl-3-prop-1-en-2-ylcyclopentan-1-ol

(1R,2S,3R)-2-[(3S)-3-hydroxy-2,2-dimethylpent-4-enyl]-1-methyl-3-prop-1-en-2-ylcyclopentan-1-ol (PubChem CID 135071679) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is (1R,2S,3R)-2-[(3S)-3-hydroxy-2,2-dimethylpent-4-enyl]-1-methyl-3-prop-1-en-2-ylcyclopentan-1-ol.

Molecular Properties

Compound Name(1R,2S,3R)-2-[(3S)-3-hydroxy-2,2-dimethylpent-4-enyl]-1-methyl-3-prop-1-en-2-ylcyclopentan-1-ol
PubChem CID135071679
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name(1R,2S,3R)-2-[(3S)-3-hydroxy-2,2-dimethylpent-4-enyl]-1-methyl-3-prop-1-en-2-ylcyclopentan-1-ol
SMILESC=C[C@H](O)C(C)(C)C[C@H]1[C@H](C(=C)C)CC[C@@]1(C)O
InChIInChI=1S/C16H28O2/c1-7-14(17)15(4,5)10-13-12(11(2)3)8-9-16(13,6)18/h7,12-14,17-18H,1-2,8-10H2,3-6H3/t12-,13-,14-,16+/m0/s1
InChIKeyCNGGFNXAWSDPBN-RZLSGREXSA-N
XLogP3.30
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.30
H-Bond Donors ≤ 52
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
(1R,3aR,5E,9S,10E,12aR)-3a,6,10-trimethyl-1-propan-2-yl-2,3,4,7,8,9,12,12a-octahydrocyclopenta[11]annulene-1,9-diol
CID 162651540
(1R,3aR,5E,9S,12aR)-3a,6-dimethyl-10-methylidene-1-propan-2-yl-3,4,7,8,9,11,12,12a-octahydro-2H-cyclopenta[11]annulene-1,9-diol
CID 162654860
(1R,3aR,5E,9S,10Z,12aR)-3a,6,10-trimethyl-1-propan-2-yl-2,3,4,7,8,9,12,12a-octahydrocyclopenta[11]annulene-1,9-diol
CID 162660576
(1R,3aR,5S,8S,8aS)-3a-methyl-6-methylidene-1-propan-2-yl-3,4,5,7,8,8a-hexahydro-2H-azulene-1,5,8-triol
CID 14681670
Cyclonerotriol
CID 21596370
(1R,3aR,5E,9E,11R,12aR)-3a,6,10-trimethyl-1-propan-2-yl-2,3,4,7,8,11,12,12a-octahydrocyclopenta[11]annulene-1,11-diol
CID 23428015
(1R,3aR,5R,9E,12aS)-1-(2-hydroxypropan-2-yl)-3a,10-dimethyl-6-methylidene-1,2,3,4,5,7,8,11,12,12a-decahydrocyclopenta[11]annulen-5-ol
CID 101385924
8-Acoren-3,11-diol
CID 156581681
Chokol B
CID 181329
Trichocarotin H
CID 148214470
(1R,3aR,5E,8R,9E,12aR)-3a,4,6,10-tetramethyl-1-propan-2-yl-2,3,4,7,8,11,12,12a-octahydrocyclopenta[11]annulene-1,8-diol
CID 145967614

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R)-2-[(3S)-3-hydroxy-2,2-dimethylpent-4-enyl]-1-methyl-3-prop-1-en-2-ylcyclopentan-1-ol?
The IUPAC name of (1R,2S,3R)-2-[(3S)-3-hydroxy-2,2-dimethylpent-4-enyl]-1-methyl-3-prop-1-en-2-ylcyclopentan-1-ol (CID 135071679) is (1R,2S,3R)-2-[(3S)-3-hydroxy-2,2-dimethylpent-4-enyl]-1-methyl-3-prop-1-en-2-ylcyclopentan-1-ol.
What is the SMILES notation for (1R,2S,3R)-2-[(3S)-3-hydroxy-2,2-dimethylpent-4-enyl]-1-methyl-3-prop-1-en-2-ylcyclopentan-1-ol?
The canonical SMILES for (1R,2S,3R)-2-[(3S)-3-hydroxy-2,2-dimethylpent-4-enyl]-1-methyl-3-prop-1-en-2-ylcyclopentan-1-ol is C=C[C@H](O)C(C)(C)C[C@H]1[C@H](C(=C)C)CC[C@@]1(C)O.
What is the InChIKey of (1R,2S,3R)-2-[(3S)-3-hydroxy-2,2-dimethylpent-4-enyl]-1-methyl-3-prop-1-en-2-ylcyclopentan-1-ol?
The InChIKey is CNGGFNXAWSDPBN-RZLSGREXSA-N. The full InChI is InChI=1S/C16H28O2/c1-7-14(17)15(4,5)10-13-12(11(2)3)8-9-16(13,6)18/h7,12-14,17-18H,1-2,8-10H2,3-6H3/t12-,13-,14-,16+/m0/s1.
What are the key properties of (1R,2S,3R)-2-[(3S)-3-hydroxy-2,2-dimethylpent-4-enyl]-1-methyl-3-prop-1-en-2-ylcyclopentan-1-ol?
(1R,2S,3R)-2-[(3S)-3-hydroxy-2,2-dimethylpent-4-enyl]-1-methyl-3-prop-1-en-2-ylcyclopentan-1-ol has a molecular weight of 252.40 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R)-2-[(3S)-3-hydroxy-2,2-dimethylpent-4-enyl]-1-methyl-3-prop-1-en-2-ylcyclopentan-1-ol is sourced from PubChem (CID 135071679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).