(1R,4aS,10aR)-1-ethenyl-4a-[(1S)-1-(methoxymethoxy)prop-2-enyl]spiro[1,2,3,4,5,6,8,9,10,10a-decahydrophenanthrene-7,2'-1,3-dioxolane]

C23H34O4 — CID 146166969

IUPAC(1R,4aS,10aR)-1-ethenyl-4a-[(1S)-1-(methoxymethoxy)prop-2-enyl]spiro[1,2,3,4,5,6,8,9,10,10a-decahydrophenanthrene-7,2'-1,3-dioxolane]
SMILESC=C[C@H](OCOC)[C@@]12CCC[C@H](C=C)[C@H]1CCC1=C2CCC2(C1)OCCO2
InChIInChI=1S/C23H34O4/c1-4-17-7-6-11-23(21(5-2)25-16-24-3)19(17)9-8-18-15-22(12-10-20(18)23)26-13-14-27-22/h4-5,17,19,21H,1-2,6-16H2,3H3/t17-,19+,21-,23-/m0/s1
InChIKeyLAWWPBZEFSFDCE-FTJYFCJYSA-N
MW374.52 g/mol
LogP4.77
Rot. Bonds6

About (1R,4aS,10aR)-1-ethenyl-4a-[(1S)-1-(methoxymethoxy)prop-2-enyl]spiro[1,2,3,4,5,6,8,9,10,10a-decahydrophenanthrene-7,2'-1,3-dioxolane]

(1R,4aS,10aR)-1-ethenyl-4a-[(1S)-1-(methoxymethoxy)prop-2-enyl]spiro[1,2,3,4,5,6,8,9,10,10a-decahydrophenanthrene-7,2'-1,3-dioxolane] (PubChem CID 146166969) has the molecular formula C23H34O4 and a molecular weight of 374.52 g/mol. Its IUPAC name is (1R,4aS,10aR)-1-ethenyl-4a-[(1S)-1-(methoxymethoxy)prop-2-enyl]spiro[1,2,3,4,5,6,8,9,10,10a-decahydrophenanthrene-7,2'-1,3-dioxolane].

Molecular Properties

Compound Name(1R,4aS,10aR)-1-ethenyl-4a-[(1S)-1-(methoxymethoxy)prop-2-enyl]spiro[1,2,3,4,5,6,8,9,10,10a-decahydrophenanthrene-7,2'-1,3-dioxolane]
PubChem CID146166969
Molecular FormulaC23H34O4
Molecular Weight374.52 g/mol
Exact Mass374.25
IUPAC Name(1R,4aS,10aR)-1-ethenyl-4a-[(1S)-1-(methoxymethoxy)prop-2-enyl]spiro[1,2,3,4,5,6,8,9,10,10a-decahydrophenanthrene-7,2'-1,3-dioxolane]
SMILESC=C[C@H](OCOC)[C@@]12CCC[C@H](C=C)[C@H]1CCC1=C2CCC2(C1)OCCO2
InChIInChI=1S/C23H34O4/c1-4-17-7-6-11-23(21(5-2)25-16-24-3)19(17)9-8-18-15-22(12-10-20(18)23)26-13-14-27-22/h4-5,17,19,21H,1-2,6-16H2,3H3/t17-,19+,21-,23-/m0/s1
InChIKeyLAWWPBZEFSFDCE-FTJYFCJYSA-N
XLogP4.77
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.52
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R,4aS,10aR)-1-ethenyl-4a-[(1S)-1-(methoxymethoxy)prop-2-enyl]spiro[1,2,3,4,5,6,8,9,10,10a-decahydrophenanthrene-7,2'-1,3-dioxolane] with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,4aS,10aR)-1-ethenyl-4a-[(1S)-1-(methoxymethoxy)prop-2-enyl]spiro[1,2,3,4,5,6,8,9,10,10a-decahydrophenanthrene-7,2'-1,3-dioxolane]?
The IUPAC name of (1R,4aS,10aR)-1-ethenyl-4a-[(1S)-1-(methoxymethoxy)prop-2-enyl]spiro[1,2,3,4,5,6,8,9,10,10a-decahydrophenanthrene-7,2'-1,3-dioxolane] (CID 146166969) is (1R,4aS,10aR)-1-ethenyl-4a-[(1S)-1-(methoxymethoxy)prop-2-enyl]spiro[1,2,3,4,5,6,8,9,10,10a-decahydrophenanthrene-7,2'-1,3-dioxolane].
What is the SMILES notation for (1R,4aS,10aR)-1-ethenyl-4a-[(1S)-1-(methoxymethoxy)prop-2-enyl]spiro[1,2,3,4,5,6,8,9,10,10a-decahydrophenanthrene-7,2'-1,3-dioxolane]?
The canonical SMILES for (1R,4aS,10aR)-1-ethenyl-4a-[(1S)-1-(methoxymethoxy)prop-2-enyl]spiro[1,2,3,4,5,6,8,9,10,10a-decahydrophenanthrene-7,2'-1,3-dioxolane] is C=C[C@H](OCOC)[C@@]12CCC[C@H](C=C)[C@H]1CCC1=C2CCC2(C1)OCCO2.
What is the InChIKey of (1R,4aS,10aR)-1-ethenyl-4a-[(1S)-1-(methoxymethoxy)prop-2-enyl]spiro[1,2,3,4,5,6,8,9,10,10a-decahydrophenanthrene-7,2'-1,3-dioxolane]?
The InChIKey is LAWWPBZEFSFDCE-FTJYFCJYSA-N. The full InChI is InChI=1S/C23H34O4/c1-4-17-7-6-11-23(21(5-2)25-16-24-3)19(17)9-8-18-15-22(12-10-20(18)23)26-13-14-27-22/h4-5,17,19,21H,1-2,6-16H2,3H3/t17-,19+,21-,23-/m0/s1.
What are the key properties of (1R,4aS,10aR)-1-ethenyl-4a-[(1S)-1-(methoxymethoxy)prop-2-enyl]spiro[1,2,3,4,5,6,8,9,10,10a-decahydrophenanthrene-7,2'-1,3-dioxolane]?
(1R,4aS,10aR)-1-ethenyl-4a-[(1S)-1-(methoxymethoxy)prop-2-enyl]spiro[1,2,3,4,5,6,8,9,10,10a-decahydrophenanthrene-7,2'-1,3-dioxolane] has a molecular weight of 374.52 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4aS,10aR)-1-ethenyl-4a-[(1S)-1-(methoxymethoxy)prop-2-enyl]spiro[1,2,3,4,5,6,8,9,10,10a-decahydrophenanthrene-7,2'-1,3-dioxolane] is sourced from PubChem (CID 146166969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).