1-[(1S,3S)-1-methyl-3-propan-2-yl-2-prop-2-enylcyclopentyl]pent-4-en-2-ol

C17H30O — CID 135017268

IUPAC1-[(1S,3S)-1-methyl-3-propan-2-yl-2-prop-2-enylcyclopentyl]pent-4-en-2-ol
SMILESC=CCC(O)C[C@]1(C)CC[C@@H](C(C)C)C1CC=C
InChIInChI=1S/C17H30O/c1-6-8-14(18)12-17(5)11-10-15(13(3)4)16(17)9-7-2/h6-7,13-16,18H,1-2,8-12H2,3-5H3/t14?,15-,16?,17-/m0/s1
InChIKeyDGCAJCQNNQCBTE-XGHPGWEVSA-N
MW250.43 g/mol
LogP4.58
Rot. Bonds7

About 1-[(1S,3S)-1-methyl-3-propan-2-yl-2-prop-2-enylcyclopentyl]pent-4-en-2-ol

1-[(1S,3S)-1-methyl-3-propan-2-yl-2-prop-2-enylcyclopentyl]pent-4-en-2-ol (PubChem CID 135017268) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-[(1S,3S)-1-methyl-3-propan-2-yl-2-prop-2-enylcyclopentyl]pent-4-en-2-ol.

Molecular Properties

Compound Name1-[(1S,3S)-1-methyl-3-propan-2-yl-2-prop-2-enylcyclopentyl]pent-4-en-2-ol
PubChem CID135017268
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name1-[(1S,3S)-1-methyl-3-propan-2-yl-2-prop-2-enylcyclopentyl]pent-4-en-2-ol
SMILESC=CCC(O)C[C@]1(C)CC[C@@H](C(C)C)C1CC=C
InChIInChI=1S/C17H30O/c1-6-8-14(18)12-17(5)11-10-15(13(3)4)16(17)9-7-2/h6-7,13-16,18H,1-2,8-12H2,3-5H3/t14?,15-,16?,17-/m0/s1
InChIKeyDGCAJCQNNQCBTE-XGHPGWEVSA-N
XLogP4.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 54.58
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

cis-Dracunculifoliol
CID 91749998
(1S,3R,3aR,5E,9E,12aS)-3a,6,10-trimethyl-1-prop-1-en-2-yl-2,3,4,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulen-3-ol
CID 51040260
[(1R,3R)-2,2,3-trimethyl-4-methylidenecyclopentyl]methanol
CID 10920731
2,6,12,16-Tetramethyltricyclo[7.5.2.012,15]hexadeca-2,9(16)-dien-11-ol
CID 162992749
(1S,3R,3aR,5E,12aS)-3a,6,10-trimethyl-1-prop-1-en-2-yl-2,3,4,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulen-3-ol
CID 53322721
(1S,3S,3aR,5E,12aS)-3a,6,10-trimethyl-1-prop-1-en-2-yl-2,3,4,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulen-3-ol
CID 53326633
(1R,6S,11S,12S,15S)-6,12,16-trimethyl-2-methylidenetricyclo[7.5.2.012,15]hexadec-9(16)-en-11-ol
CID 13676283
(1R,5R,10R)-1,8-dimethyl-4-propan-2-ylidenespiro[4.5]dec-7-en-10-ol
CID 15894372
(1R,3aR,5E,9E,12S,12aS)-1-(2-hydroxypropan-2-yl)-3a,6,10-trimethyl-2,3,4,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulen-12-ol
CID 46850368
(1R,3E,7E,11S,12S,14S)-14-Hydroxy-3,7,18-Dolabellatriene
CID 51040050
1-(2-hydroxypropan-2-yl)-3a,6,10-trimethyl-2,3,4,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulen-12-ol
CID 75232107
3a,10-Dimethyl-6-methylidene-1-prop-1-en-2-yl-1,2,3,4,5,7,8,11,12,12a-decahydrocyclopenta[11]annulen-5-ol
CID 75232180

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,3S)-1-methyl-3-propan-2-yl-2-prop-2-enylcyclopentyl]pent-4-en-2-ol?
The IUPAC name of 1-[(1S,3S)-1-methyl-3-propan-2-yl-2-prop-2-enylcyclopentyl]pent-4-en-2-ol (CID 135017268) is 1-[(1S,3S)-1-methyl-3-propan-2-yl-2-prop-2-enylcyclopentyl]pent-4-en-2-ol.
What is the SMILES notation for 1-[(1S,3S)-1-methyl-3-propan-2-yl-2-prop-2-enylcyclopentyl]pent-4-en-2-ol?
The canonical SMILES for 1-[(1S,3S)-1-methyl-3-propan-2-yl-2-prop-2-enylcyclopentyl]pent-4-en-2-ol is C=CCC(O)C[C@]1(C)CC[C@@H](C(C)C)C1CC=C.
What is the InChIKey of 1-[(1S,3S)-1-methyl-3-propan-2-yl-2-prop-2-enylcyclopentyl]pent-4-en-2-ol?
The InChIKey is DGCAJCQNNQCBTE-XGHPGWEVSA-N. The full InChI is InChI=1S/C17H30O/c1-6-8-14(18)12-17(5)11-10-15(13(3)4)16(17)9-7-2/h6-7,13-16,18H,1-2,8-12H2,3-5H3/t14?,15-,16?,17-/m0/s1.
What are the key properties of 1-[(1S,3S)-1-methyl-3-propan-2-yl-2-prop-2-enylcyclopentyl]pent-4-en-2-ol?
1-[(1S,3S)-1-methyl-3-propan-2-yl-2-prop-2-enylcyclopentyl]pent-4-en-2-ol has a molecular weight of 250.43 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,3S)-1-methyl-3-propan-2-yl-2-prop-2-enylcyclopentyl]pent-4-en-2-ol is sourced from PubChem (CID 135017268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).