(1R)-1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]pent-4-en-1-ol

C16H26O3 — CID 10999996

IUPAC(1R)-1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]pent-4-en-1-ol
SMILESC=CCC[C@@H](O)[C@@]1(CC=C)CCCCC12OCCO2
InChIInChI=1S/C16H26O3/c1-3-5-8-14(17)15(9-4-2)10-6-7-11-16(15)18-12-13-19-16/h3-4,14,17H,1-2,5-13H2/t14-,15-/m1/s1
InChIKeyBHZAWTRRCRXALC-HUUCEWRRSA-N
MW266.38 g/mol
LogP3.19
Rot. Bonds6

About (1R)-1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]pent-4-en-1-ol

(1R)-1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]pent-4-en-1-ol (PubChem CID 10999996) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is (1R)-1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]pent-4-en-1-ol.

Molecular Properties

Compound Name(1R)-1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]pent-4-en-1-ol
PubChem CID10999996
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name(1R)-1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]pent-4-en-1-ol
SMILESC=CCC[C@@H](O)[C@@]1(CC=C)CCCCC12OCCO2
InChIInChI=1S/C16H26O3/c1-3-5-8-14(17)15(9-4-2)10-6-7-11-16(15)18-12-13-19-16/h3-4,14,17H,1-2,5-13H2/t14-,15-/m1/s1
InChIKeyBHZAWTRRCRXALC-HUUCEWRRSA-N
XLogP3.19
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6S,7S)-6-methyl-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-7-ol
CID 10560495
(6-Prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl)methanol
CID 10921811
(6-Prop-2-enyl-1,4-dioxaspiro[4.6]undecan-6-yl)methanol
CID 10933192
(4S,5S)-7,10-dioxadispiro[4.0.46.45]tetradec-2-en-4-ol
CID 11042022
(1S)-1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]prop-2-en-1-ol
CID 11107408
(6R,7S)-6-methyl-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-7-ol
CID 11413203
(1S)-1-[(9S)-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl]pent-4-en-1-ol
CID 11791680
(6S,7S)-1,4-dioxadispiro[4.0.56.55]hexadec-9-en-7-ol
CID 11806696
(1S)-1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]but-3-en-1-ol
CID 21596271
(1S)-1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.6]undecan-6-yl]prop-2-en-1-ol
CID 21596272
(6R,7S)-1,4-dioxadispiro[4.0.66.55]heptadec-10-en-7-ol
CID 101140091
(6R,7S)-1,4-dioxadispiro[4.0.66.45]hexadec-10-en-7-ol
CID 177475839

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]pent-4-en-1-ol?
The IUPAC name of (1R)-1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]pent-4-en-1-ol (CID 10999996) is (1R)-1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]pent-4-en-1-ol.
What is the SMILES notation for (1R)-1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]pent-4-en-1-ol?
The canonical SMILES for (1R)-1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]pent-4-en-1-ol is C=CCC[C@@H](O)[C@@]1(CC=C)CCCCC12OCCO2.
What is the InChIKey of (1R)-1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]pent-4-en-1-ol?
The InChIKey is BHZAWTRRCRXALC-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H26O3/c1-3-5-8-14(17)15(9-4-2)10-6-7-11-16(15)18-12-13-19-16/h3-4,14,17H,1-2,5-13H2/t14-,15-/m1/s1.
What are the key properties of (1R)-1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]pent-4-en-1-ol?
(1R)-1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]pent-4-en-1-ol has a molecular weight of 266.38 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]pent-4-en-1-ol is sourced from PubChem (CID 10999996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).